molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2148106 |
|
Ki |
= |
0.38 |
nM |
592.73 |
CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1 |
Homo sapiens |
CHEMBL2148239 |
single protein format |
CHEMBL2418196 |
OBDepict
O
O
H
O
H
OH
H
3
C
H
H
CH
3
O
O
O
H
CH
3
H
3
C
CH
3
H
HO
H
H
3
C
OH
|
Ki |
= |
0.69 |
nM |
562.7 |
C[C@@H](CCCc1cccc(O)c1)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C |
Homo sapiens |
CHEMBL2421507 |
single protein format |
CHEMBL285801 |
OBDepict
CH
3
N
H
N
H
3
C
H
H
N
H
H
3
C
CH
3
O
OH
|
Ki |
= |
1.2 |
nM |
413.61 |
CCCCCCCCc1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C |
Homo sapiens |
CHEMBL772098 |
assay format |
CHEMBL302449 |
OBDepict
N
N
N
H
3
C
N
H
O
|
IC50 |
= |
2.0 |
nM |
378.44 |
Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O |
Homo sapiens |
CHEMBL939361 |
single protein format |
CHEMBL27768 |
OBDepict
CH
3
O
O
H
H
H
3
C
O
OH
CH
3
CH
3
H
H
H
O
OH
H
3
C
O
CH
3
HO
|
Ki |
= |
2.91 |
nM |
504.62 |
CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(=O)CCC |
Homo sapiens |
CHEMBL772103 |
single protein format |
CHEMBL432168 |
OBDepict
OH
HN
O
H
H
O
H
NH
2
O
HO
OH
O
OH
O
HO
|
IC50 |
= |
5.0 |
nM |
536.49 |
N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL75661 |
OBDepict
OH
H
H
O
H
HN
O
O
OH
HO
OH
O
OH
O
HO
|
IC50 |
= |
5.0 |
nM |
551.5 |
O=C(N[C@@H]1C[C@H](CO)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL300422 |
OBDepict
OH
HN
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
5.0 |
nM |
493.47 |
O=C(OC1CNCC1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 |
Homo sapiens |
CHEMBL767412 |
single protein format |
CHEMBL421866 |
OBDepict
H
2
N
H
H
O
H
NH
O
O
OH
OH
HO
O
HO
O
OH
|
IC50 |
= |
5.0 |
nM |
550.52 |
NC[C@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 |
Homo sapiens |
CHEMBL772955 |
single protein format |
CHEMBL417051 |
OBDepict
OH
HN
O
H
H
O
H
NH
2
O
HO
OH
O
OH
O
HO
|
IC50 |
= |
5.0 |
nM |
536.49 |
N[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 |
Homo sapiens |
CHEMBL772955 |
single protein format |
CHEMBL306427 |
OBDepict
OH
H
H
O
H
HN
O
O
OH
HO
OH
O
OH
O
HO
|
IC50 |
= |
5.0 |
nM |
551.5 |
O=C(N[C@H]1C[C@H](CO)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL772955 |
single protein format |
CHEMBL307708 |
OBDepict
H
2
N
H
H
O
H
NH
O
O
OH
OH
HO
O
HO
O
OH
|
IC50 |
= |
5.0 |
nM |
550.52 |
NC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL265998 |
OBDepict
CH
3
O
O
H
H
H
3
C
O
OH
CH
3
CH
3
H
H
H
O
H
H
3
C
O
CH
3
HO
|
Ki |
= |
5.23 |
nM |
488.62 |
CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@H]3C(=O)C(C)=C[C@H]32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC |
Homo sapiens |
CHEMBL772103 |
single protein format |
CHEMBL2148108 |
OBDepict
OH
H
O
O
O
O
H
H
O
H
H
3
C
O
H
H
3
C
CH
3
HO
|
Ki |
= |
5.5 |
nM |
504.62 |
C[C@H]1[C@@H]2C[C@@]3(O[C@H](CCC3(C)C)CC(=O)O[C@@H](CO)CC(=O)O2)O[C@@H]1CCCCc1cccc(O)c1 |
Homo sapiens |
CHEMBL2148239 |
single protein format |
CHEMBL522428 |
OBDepict
HO
O
O
O
O
CH
3
H
3
C
H
3
C
|
Ki |
= |
6.2 |
nM |
404.46 |
CC(C)=C1CC(CO)(COC(=O)c2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O |
Homo sapiens |
CHEMBL1000238 |
single protein format |
CHEMBL48636 |
OBDepict
HO
N
H
O
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
10.0 |
nM |
521.48 |
O=C(NC1CCCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767412 |
single protein format |
CHEMBL427118 |
OBDepict
HO
N
H
O
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
10.0 |
nM |
521.48 |
O=C(N[C@@H]1CCCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL758470 |
single protein format |
CHEMBL67290 |
OBDepict
H
2
N
H
H
O
H
NH
O
O
OH
OH
HO
O
HO
O
OH
|
IC50 |
= |
10.0 |
nM |
550.52 |
NC[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 |
Homo sapiens |
CHEMBL772955 |
single protein format |
CHEMBL52529 |
OBDepict
HO
HN
O
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
10.0 |
nM |
521.48 |
O=C(N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL772956 |
single protein format |
CHEMBL308263 |
OBDepict
H
2
N
H
H
O
H
NH
O
O
OH
OH
HO
O
HO
O
OH
|
IC50 |
= |
10.0 |
nM |
550.52 |
NC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL71331 |
OBDepict
HO
HN
O
H
O
O
OH
OH
O
HO
O
OH
|
IC50 |
= |
10.0 |
nM |
521.48 |
O=C(NC1CCC[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767891 |
single protein format |
CHEMBL177635 |
OBDepict
HO
N
H
O
H
NH
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
12.0 |
nM |
522.47 |
O=C(N[C@@H]1CNCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL758470 |
single protein format |
CHEMBL265559 |
OBDepict
HO
N
H
O
NH
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
12.0 |
nM |
522.47 |
O=C(NC1CNCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL761877 |
single protein format |
CHEMBL2148107 |
OBDepict
OH
H
O
O
O
O
H
H
O
H
CH
3
H
O
H
3
C
H
3
C
HO
|
Ki |
= |
12.0 |
nM |
504.62 |
C[C@@H]1CC(C)(C)[C@@]23C[C@@H](C[C@@H](CCCCc4cccc(O)c4)O2)OC(=O)C[C@H](CO)OC(=O)C[C@@H]1O3 |
Homo sapiens |
CHEMBL2148239 |
single protein format |
CHEMBL489520 |
OBDepict
OH
O
O
O
O
H
3
C
CH
3
O
CH
3
|
Ki |
= |
12.3 |
nM |
462.54 |
CC(C)=C1CC(CO)(COC(=O)CCCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O |
Homo sapiens |
CHEMBL1000238 |
single protein format |
CHEMBL59828 |
OBDepict
HO
HN
O
H
NH
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
13.0 |
nM |
522.47 |
O=C(N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL772956 |
single protein format |
CHEMBL422056 |
OBDepict
HO
HN
O
N
H
H
O
O
OH
OH
O
HO
O
OH
|
IC50 |
= |
14.0 |
nM |
522.47 |
O=C(NC1CNC[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767891 |
single protein format |
CHEMBL399981 |
OBDepict
CH
3
N
N
H
N
H
H
3
C
HO
H
O
H
3
C
H
3
C
|
Ki |
= |
15.0 |
nM |
385.55 |
CCCCCCn1cc2c3c(cccc31)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C2 |
Homo sapiens |
CHEMBL927261 |
single protein format |
CHEMBL306580 |
OBDepict
OH
H
O
H
HN
O
O
OH
HO
OH
O
OH
O
HO
|
IC50 |
= |
20.0 |
nM |
537.48 |
O=C(N[C@@H]1CC(O)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL67716 |
OBDepict
HO
HN
O
H
H
O
H
OH
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
30.0 |
nM |
537.48 |
O=C(N[C@H]1C[C@H](O)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL772955 |
single protein format |
CHEMBL7463 |
OBDepict
H
3
C
N
CH
3
N
O
N
H
O
N
H
|
IC50 |
= |
30.0 |
nM |
412.49 |
CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL966812 |
single protein format |
CHEMBL49354 |
OBDepict
OH
HN
O
N
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
30.0 |
nM |
550.52 |
O=C(NC1CNCCCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL309034 |
OBDepict
HO
HN
O
H
H
O
H
OH
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
30.0 |
nM |
537.48 |
O=C(N[C@@H]1C[C@@H](O)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL367162 |
OBDepict
HO
N
H
O
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
< |
30.0 |
nM |
569.52 |
O=C(N[C@@H]1Cc2ccccc2C1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL758470 |
single protein format |
CHEMBL210390 |
OBDepict
H
2
N
N
N
O
NH
2
H
N
H
|
IC50 |
= |
31.0 |
nM |
409.49 |
Nc1cc2cc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)ccc2cn1 |
Homo sapiens |
CHEMBL861324 |
single protein format |
CHEMBL60254 |
OBDepict
OH
HN
O
H
N
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
34.0 |
nM |
550.52 |
O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL772954 |
single protein format |
CHEMBL311399 |
OBDepict
OH
HN
O
H
N
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
34.0 |
nM |
550.52 |
O=C(N[C@@H]1CNCCCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767891 |
single protein format |
CHEMBL307747 |
OBDepict
OH
HN
O
H
N
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
34.0 |
nM |
550.52 |
O=C(N[C@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767893 |
single protein format |
CHEMBL492118 |
OBDepict
HO
O
O
O
O
CH
3
H
3
C
O
H
3
C
|
Ki |
= |
35.0 |
nM |
448.52 |
CC(C)=C1CC(CO)(COC(=O)CCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O |
Homo sapiens |
CHEMBL1000238 |
single protein format |
CHEMBL305667 |
OBDepict
HO
NH
O
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
35.0 |
nM |
547.52 |
O=C(NC1C2CCC(C2)C1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767891 |
single protein format |
CHEMBL1258348 |
OBDepict
HO
H
O
O
O
O
H
H
O
H
O
H
3
C
H
3
C
HO
|
Ki |
= |
39.0 |
nM |
490.59 |
CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cccc(O)c4)O[C@@]1(C3)O2 |
Homo sapiens |
CHEMBL1260395 |
single protein format |
CHEMBL80525 |
OBDepict
HO
NH
O
H
H
O
O
HO
OH
O
OH
O
HO
|
IC50 |
= |
40.0 |
nM |
547.52 |
O=C(N[C@@H]1C2CCC(C2)[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL433101 |
OBDepict
HO
HN
O
H
HN
CH
3
O
O
OH
OH
O
HO
O
OH
|
IC50 |
= |
40.0 |
nM |
564.55 |
C[C@@]1(OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL766914 |
single protein format |
CHEMBL295806 |
OBDepict
OH
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
40.0 |
nM |
492.48 |
O=C(OC1CCCC1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 |
Homo sapiens |
CHEMBL767412 |
single protein format |
CHEMBL6453 |
OBDepict
CH
3
N
CH
3
H
HN
H
HO
H
3
C
CH
3
O
|
Ki |
= |
43.0 |
nM |
398.59 |
CCCCCCCCC#Cc1ccc2c(c1)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C |
Homo sapiens |
CHEMBL874096 |
single protein format |
CHEMBL431955 |
OBDepict
OH
H
H
O
H
HN
O
O
OH
HO
OH
O
OH
O
HO
|
IC50 |
= |
45.0 |
nM |
551.5 |
O=C(N[C@H]1C[C@@H](CO)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL772955 |
single protein format |
CHEMBL359486 |
OBDepict
H
3
C
N
CH
3
N
N
O
N
H
O
N
N
|
IC50 |
= |
47.0 |
nM |
540.63 |
CN(C)CCCn1nc(C2=C(c3cn(-c4cnc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL827980 |
single protein format |
CHEMBL75004 |
OBDepict
OH
H
H
O
H
HN
O
O
OH
HO
OH
O
OH
O
HO
|
IC50 |
= |
50.0 |
nM |
551.5 |
O=C(N[C@@H]1C[C@@H](CO)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL263910 |
OBDepict
HO
NH
O
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
50.0 |
nM |
587.58 |
O=C(N[C@@H]1C2CC(C3CCCC32)[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL72480 |
OBDepict
HO
NH
O
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
50.0 |
nM |
587.58 |
O=C(NC1C2CC(C3CCCC32)C1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767891 |
single protein format |
CHEMBL367127 |
OBDepict
OH
NH
O
H
H
O
O
OH
OH
O
HO
O
OH
|
IC50 |
= |
50.0 |
nM |
569.52 |
O=C(N[C@@H]1c2ccccc2C[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL758470 |
single protein format |
CHEMBL523155 |
OBDepict
HO
O
O
O
O
CH
3
H
3
C
O
H
3
C
|
Ki |
= |
50.8 |
nM |
434.49 |
CC(C)=C1CC(CO)(COC(=O)COc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O |
Homo sapiens |
CHEMBL1000238 |
single protein format |
CHEMBL302998 |
OBDepict
OH
HN
O
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
60.0 |
nM |
549.53 |
O=C(N[C@H]1CCCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767893 |
single protein format |
CHEMBL304549 |
OBDepict
OH
HN
O
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
60.0 |
nM |
549.53 |
O=C(N[C@@H]1CCCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL772954 |
single protein format |
CHEMBL271403 |
OBDepict
OH
H
N
H
O
N
H
N
N
CH
3
H
3
C
CH
3
|
Ki |
= |
61.3 |
nM |
326.4 |
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cn3ncc4ccc(c2c43)N1C |
Homo sapiens |
CHEMBL930946 |
single protein format |
CHEMBL1258117 |
OBDepict
HO
H
O
O
O
O
H
H
O
H
O
H
3
C
H
3
C
|
Ki |
= |
80.0 |
nM |
474.59 |
CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2 |
Homo sapiens |
CHEMBL1260395 |
single protein format |
CHEMBL300138 |
OBDepict
O
N
H
O
N
N
CH
3
N
N
|
IC50 |
= |
83.0 |
nM |
515.62 |
Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL4234416 |
single protein format |
CHEMBL76920 |
OBDepict
OH
HN
O
H
H
O
H
3
C
CH
3
O
HO
OH
O
OH
O
HO
|
IC50 |
= |
90.0 |
nM |
563.56 |
CC(C)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL368895 |
OBDepict
H
3
C
N
CH
3
N
N
O
N
H
O
N
|
IC50 |
= |
110.0 |
nM |
539.64 |
CN(C)CCCn1nc(C2=C(c3cn(-c4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL827980 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
110.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL767415 |
single protein format |
CHEMBL27266 |
OBDepict
OH
H
N
H
O
H
N
N
H
3
C
CH
3
H
3
C
H
|
Ki |
= |
137.9 |
nM |
301.39 |
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2c[nH]c3cccc(c23)N1C |
Homo sapiens |
CHEMBL772105 |
single protein format |
CHEMBL78129 |
OBDepict
OH
HN
O
H
N
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
140.0 |
nM |
576.56 |
O=C(N[C@@H]1CN2CCC(CC2)[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL28205 |
OBDepict
H
3
C
N
H
3
C
H
NH
H
OH
CH
3
H
3
C
O
|
Ki |
= |
150.6 |
nM |
402.62 |
CCCCCCCCCCc1ccc2c(c1)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C |
Homo sapiens |
CHEMBL772110 |
single protein format |
CHEMBL177308 |
OBDepict
OH
N
H
O
H
O
O
OH
OH
O
HO
O
OH
|
IC50 |
= |
160.0 |
nM |
569.52 |
O=C(N[C@@H]1c2ccccc2CC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL758470 |
single protein format |
CHEMBL306884 |
OBDepict
OH
HN
O
N
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
170.0 |
nM |
576.56 |
O=C(NC1CN2CCC(CC2)C1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767891 |
single protein format |
CHEMBL368720 |
OBDepict
H
3
C
O
O
H
3
C
H
CH
3
CH
3
H
H
NH
O
HO
|
Ki |
= |
209.0 |
nM |
457.66 |
CCCCCCCCCCCC(=O)Oc1ccc2c(c1)[C@](C)(C(C)C)[C@H]1C(=O)N[C@H](CO)[C@@H]21 |
Homo sapiens |
CHEMBL874096 |
single protein format |
CHEMBL4249925 |
OBDepict
O
N
H
S
N
N
H
S
N
O
O
CH
3
H
N
|
Ki |
= |
210.0 |
nM |
427.51 |
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 |
Homo sapiens |
CHEMBL4235416 |
single protein format |
CHEMBL368416 |
OBDepict
CH
3
N
CH
3
N
N
O
N
H
O
N
N
|
IC50 |
= |
210.0 |
nM |
490.57 |
CN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL827980 |
single protein format |
CHEMBL306170 |
OBDepict
HO
N
H
O
O
H
3
C
H
3
C
CH
3
O
HO
OH
O
HO
O
OH
|
IC50 |
= |
210.0 |
nM |
589.6 |
CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767891 |
single protein format |
CHEMBL309078 |
OBDepict
OH
N
H
O
H
H
O
H
3
C
H
3
C
H
3
C
O
HO
OH
O
HO
O
OH
|
IC50 |
= |
210.0 |
nM |
589.6 |
CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL261387 |
OBDepict
HO
H
N
H
O
N
H
N
N
H
3
C
CH
3
H
3
C
F
F
F
|
Ki |
= |
234.0 |
nM |
394.4 |
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cn3nc(C(F)(F)F)c4ccc(c2c43)N1C |
Homo sapiens |
CHEMBL930946 |
single protein format |
CHEMBL359808 |
OBDepict
H
3
C
N
CH
3
N
N
O
N
H
O
N
N
|
IC50 |
= |
250.0 |
nM |
540.63 |
CN(C)CCCn1nc(C2=C(c3cn(-c4cncc5ccccc45)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL827980 |
single protein format |
CHEMBL48988 |
OBDepict
OH
O
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
250.0 |
nM |
494.45 |
O=C(OC1CCCC1Oc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 |
Homo sapiens |
CHEMBL767412 |
single protein format |
CHEMBL148745 |
OBDepict
H
3
C
O
O
OH
HO
OH
O
OH
O
HO
|
IC50 |
= |
250.0 |
nM |
466.44 |
CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1 |
Homo sapiens |
CHEMBL767412 |
single protein format |
CHEMBL207544 |
OBDepict
CH
N
O
H
2
N
H
N
N
H
|
IC50 |
= |
260.0 |
nM |
418.5 |
C#Cc1ncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1 |
Homo sapiens |
CHEMBL861324 |
single protein format |
CHEMBL311543 |
OBDepict
H
3
C
NH
H
O
N
N
O
N
H
O
|
IC50 |
= |
270.0 |
nM |
454.53 |
CNC[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1 |
Homo sapiens |
CHEMBL767413 |
single protein format |
CHEMBL383264 |
OBDepict
H
N
NH
2
H
O
N
N
|
IC50 |
= |
270.0 |
nM |
394.48 |
N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12 |
Homo sapiens |
CHEMBL864415 |
single protein format |
CHEMBL440201 |
OBDepict
H
3
C
H
3
C
H
CH
3
CH
3
H
H
NH
O
OH
|
Ki |
= |
279.0 |
nM |
395.59 |
CCCCCCCCC#Cc1ccc2c(c1)[C@](C)(C(C)C)[C@H]1C(=O)N[C@H](CO)[C@@H]21 |
Homo sapiens |
CHEMBL874096 |
single protein format |
CHEMBL178945 |
OBDepict
H
3
C
N
H
3
C
N
N
O
N
H
O
N
S
|
IC50 |
= |
280.0 |
nM |
495.61 |
CN(C)CCCn1nc(C2=C(c3cn(-c4cccs4)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL827980 |
single protein format |
CHEMBL63262 |
OBDepict
OH
H
N
HS
H
N
N
H
3
C
CH
3
H
3
C
H
|
Ki |
= |
295.7 |
nM |
317.46 |
CC(C)[C@H]1/C(S)=N/[C@H](CO)Cc2c[nH]c3cccc(c23)N1C |
Homo sapiens |
CHEMBL772106 |
single protein format |
CHEMBL103055 |
OBDepict
H
3
C
N
O
O
N
N
O
N
H
O
|
IC50 |
= |
300.0 |
nM |
512.61 |
CCN1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC1 |
Homo sapiens |
CHEMBL766915 |
single protein format |
CHEMBL54382 |
OBDepict
CH
3
N
N
O
N
H
O
N
CH
3
|
IC50 |
= |
300.0 |
nM |
452.56 |
CCN1CCC(n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1 |
Homo sapiens |
CHEMBL767415 |
single protein format |
CHEMBL91829 |
OBDepict
CH
3
N
H
3
C
H
O
N
N
O
N
H
O
|
IC50 |
= |
300.0 |
nM |
468.56 |
CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1 |
Homo sapiens |
CHEMBL767417 |
single protein format |
CHEMBL432130 |
OBDepict
CH
3
S
O
O
HO
H
3
C
N
CH
3
H
O
N
N
O
N
H
O
|
IC50 |
= |
300.0 |
nM |
564.66 |
CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1.CS(=O)(=O)O |
Homo sapiens |
CHEMBL767415 |
single protein format |
CHEMBL60455 |
OBDepict
OH
N
H
O
H
H
O
O
HO
OH
O
OH
O
HO
|
IC50 |
= |
300.0 |
nM |
535.51 |
O=C(N[C@@H]1CCC[C@H]1COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL766914 |
single protein format |
CHEMBL368193 |
OBDepict
CH
2
N
O
N
H
O
N
N
N
H
3
C
H
3
C
|
IC50 |
= |
320.0 |
nM |
439.52 |
C=Cn1cc(C2=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL827980 |
single protein format |
CHEMBL173348 |
OBDepict
H
3
C
O
O
H
3
C
H
CH
3
CH
3
H
H
NH
O
HO
|
Ki |
= |
327.0 |
nM |
457.66 |
CCCCCCCCCCCC(=O)Oc1ccc2c(c1)[C@@](C)(C(C)C)[C@H]1C(=O)N[C@H](CO)[C@@H]21 |
Homo sapiens |
CHEMBL874096 |
single protein format |
CHEMBL59677 |
OBDepict
HO
HN
O
H
NH
H
HN
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
330.0 |
nM |
521.48 |
O=C(N[C@@H]1CNC[C@H]1NC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL766914 |
single protein format |
CHEMBL367106 |
OBDepict
O
N
H
O
N
N
N
N
O
|
IC50 |
= |
340.0 |
nM |
581.68 |
O=C1NC(=O)C(c2nn(CCCN3CCOCC3)c3ccccc23)=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12 |
Homo sapiens |
CHEMBL827980 |
single protein format |
CHEMBL366668 |
OBDepict
CH
3
N
CH
3
N
N
O
N
H
O
N
|
IC50 |
= |
370.0 |
nM |
489.58 |
CN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL827980 |
single protein format |
CHEMBL48546 |
OBDepict
CH
3
O
O
HO
O
OH
OH
O
O
HN
OH
|
IC50 |
= |
380.0 |
nM |
507.5 |
COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)OC2CNCC2Cc2ccc(O)cc2)cc1O |
Homo sapiens |
CHEMBL767412 |
single protein format |
CHEMBL106384 |
OBDepict
H
3
C
N
O
N
H
3
C
N
N
O
N
H
O
|
IC50 |
= |
390.0 |
nM |
511.63 |
CN1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCN(C)CC1 |
Homo sapiens |
CHEMBL766915 |
single protein format |
CHEMBL441802 |
OBDepict
OH
HN
O
H
H
O
O
CH
3
O
HO
OH
O
OH
O
HO
|
IC50 |
= |
390.0 |
nM |
563.52 |
CC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL421217 |
OBDepict
CH
3
N
H
3
C
O
O
N
N
O
N
H
O
|
IC50 |
= |
400.0 |
nM |
526.64 |
CC(C)N1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC1 |
Homo sapiens |
CHEMBL766915 |
single protein format |
CHEMBL77970 |
OBDepict
OH
HN
O
H
N
H
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
400.0 |
nM |
550.52 |
O=C(N[C@H]1CNCCC[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL55394 |
OBDepict
O
N
H
O
N
N
H
3
C
N
|
IC50 |
= |
400.0 |
nM |
478.6 |
Cn1cc(C2=C(c3cn(C4CCN(CC5CC5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
Homo sapiens |
CHEMBL767415 |
single protein format |
CHEMBL306623 |
OBDepict
OH
HN
O
H
H
O
S
O
O
CH
3
O
HO
HO
O
OH
O
HO
|
IC50 |
= |
400.0 |
nM |
599.57 |
CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL367488 |
OBDepict
OH
HN
O
H
N
H
O
O
OH
HO
O
OH
O
HO
|
IC50 |
= |
400.0 |
nM |
550.52 |
O=C(N[C@H]1CNCCCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL767414 |
single protein format |
CHEMBL312067 |
OBDepict
CH
3
NH
O
H
O
H
N
H
O
O
OH
OH
HO
O
HO
O
OH
|
IC50 |
= |
410.0 |
nM |
578.53 |
CNC(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1 |
Homo sapiens |
CHEMBL767890 |
single protein format |
CHEMBL401369 |
OBDepict
CH
3
N
N
CH
3
H
HN
H
HO
CH
3
H
3
C
O
|
Ki |
= |
420.0 |
nM |
399.58 |
CCCCCCn1cc2c3c(cccc31)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CC2 |
Homo sapiens |
CHEMBL927262 |
single protein format |