molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3667990 |
|
IC50 |
= |
1.0 |
nM |
386.43 |
COc1cc(-c2cc([C@H]3CC[C@H](O)CC3)n3ncnc(N)c23)cc(F)c1CO |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667966 |
OBDepict
OH
N
N
N
H
2
N
HO
|
IC50 |
= |
1.0 |
nM |
312.37 |
Nc1ncnn2c(CCCCO)cc(-c3ccc(CO)cc3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667967 |
OBDepict
HO
F
F
N
NH
2
N
N
HO
|
IC50 |
= |
1.3 |
nM |
346.34 |
Nc1ncnn2c(C(O)C3CC3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL1980995 |
OBDepict
H
3
C
NH
O
O
N
CH
3
CH
3
N
O
N
H
|
IC50 |
= |
1.361 |
nM |
466.54 |
CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL3667973 |
OBDepict
HO
F
F
N
H
2
N
N
N
H
N
H
|
IC50 |
= |
1.9 |
nM |
359.38 |
Nc1ncnn2c([C@@H]3CCCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3668000 |
OBDepict
HO
F
F
N
H
2
N
N
N
CH
3
H
3
C
|
IC50 |
= |
1.9 |
nM |
318.33 |
CC(C)c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667979 |
OBDepict
OH
N
NH
2
N
N
N
S
H
2
N
|
IC50 |
= |
2.0 |
nM |
338.4 |
Nc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667963 |
OBDepict
CH
3
N
N
N
NH
2
OH
|
IC50 |
= |
2.0 |
nM |
282.35 |
CCCc1cc(-c2ccc(CO)cc2)c2c(N)ncnn12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667991 |
OBDepict
OH
F
O
CH
3
N
NH
2
N
N
HN
|
IC50 |
= |
2.0 |
nM |
371.42 |
COc1cc(-c2cc(C3CCCNC3)n3ncnc(N)c23)cc(F)c1CO |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667969 |
OBDepict
OH
F
F
N
H
2
N
N
N
H
H
OH
|
IC50 |
= |
2.0 |
nM |
374.39 |
Nc1ncnn2c1c(-c1cc(F)c(CO)c(F)c1)cc2[C@H]1CC[C@H](O)CC1 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667978 |
OBDepict
H
3
C
S
N
N
N
N
H
2
N
F
F
HO
|
IC50 |
= |
2.6 |
nM |
387.42 |
CCc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667964 |
OBDepict
H
3
C
N
N
N
H
2
N
F
F
OH
|
IC50 |
= |
2.8 |
nM |
318.33 |
CCCc1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667996 |
OBDepict
OH
F
CH
3
N
NH
2
N
N
HN
|
IC50 |
< |
3.0 |
nM |
355.42 |
CCc1cc(-c2cc(C3CCNC3)n3ncnc(N)c23)cc(F)c1CO |
Homo sapiens |
CHEMBL3706167 |
single protein format |
CHEMBL3667999 |
OBDepict
HO
O
H
3
C
N
NH
2
N
N
HO
|
IC50 |
= |
3.2 |
nM |
340.38 |
COc1cc(-c2cc(C(O)C3CC3)n3ncnc(N)c23)ccc1CO |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3668001 |
OBDepict
HO
F
F
N
H
2
N
N
N
OH
H
3
C
|
IC50 |
= |
3.8 |
nM |
320.3 |
CC(O)c1cc(-c2cc(F)c(CO)c(F)c2)c2c(N)ncnn12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667993 |
OBDepict
OH
CH
3
F
N
NH
2
N
N
HN
|
IC50 |
= |
4.0 |
nM |
341.39 |
Cc1cc(-c2cc(C3CCNC3)n3ncnc(N)c23)cc(F)c1CO |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667975 |
OBDepict
OH
N
NH
2
N
N
N
S
H
3
C
|
IC50 |
= |
4.0 |
nM |
337.41 |
Cc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667997 |
OBDepict
OH
F
CH
3
N
NH
2
N
N
HN
|
IC50 |
= |
4.0 |
nM |
369.44 |
CCc1cc(-c2cc(C3CCCNC3)n3ncnc(N)c23)cc(F)c1CO |
Homo sapiens |
CHEMBL3706167 |
single protein format |
CHEMBL3667965 |
OBDepict
OH
N
N
N
H
2
N
HO
|
IC50 |
= |
4.0 |
nM |
298.35 |
Nc1ncnn2c(CCCO)cc(-c3ccc(CO)cc3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667992 |
OBDepict
OH
CH
3
F
N
NH
2
N
N
N
H
|
IC50 |
= |
4.0 |
nM |
355.42 |
Cc1cc(-c2cc(C3CCCNC3)n3ncnc(N)c23)cc(F)c1CO |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3818173 |
OBDepict
O
N
H
N
NH
Cl
O
N
O
|
IC50 |
= |
4.0 |
nM |
332.75 |
O=C(Nc1cc(Nc2c(Cl)cnc3c2OCO3)ccn1)C1CC1 |
Homo sapiens |
CHEMBL3820157 |
single protein format |
CHEMBL3667995 |
OBDepict
H
2
N
S
N
N
N
N
H
2
N
F
F
HO
|
IC50 |
= |
4.1 |
nM |
388.4 |
NCc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667970 |
OBDepict
HO
F
F
N
H
2
N
N
N
NH
|
IC50 |
= |
4.4 |
nM |
345.35 |
Nc1ncnn2c(C3CCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3671311 |
OBDepict
CH
3
N
CH
3
N
O
N
N
H
NH
O
N
H
H
3
C
H
F
F
F
F
|
IC50 |
= |
4.701 |
nM |
542.54 |
C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL2385596 |
OBDepict
CH
3
N
N
N
N
N
N
|
IC50 |
< |
5.0 |
nM |
420.52 |
CN1CCN(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL2385582 |
OBDepict
O
N
N
N
N
N
|
IC50 |
< |
5.0 |
nM |
407.48 |
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCOCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL4742906 |
OBDepict
CH
3
N
N
N
NH
HN
|
IC50 |
< |
5.0 |
nM |
419.53 |
Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2ccccc2n1 |
Homo sapiens |
CHEMBL4727753 |
single protein format |
CHEMBL3667976 |
OBDepict
HO
F
F
N
H
2
N
N
N
N
S
CH
3
|
IC50 |
= |
5.3 |
nM |
373.39 |
Cc1nc(-c2cc(-c3cc(F)c(CO)c(F)c3)c3c(N)ncnn23)cs1 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667998 |
OBDepict
HO
F
H
3
C
N
NH
2
N
N
HO
|
IC50 |
= |
5.7 |
nM |
356.4 |
CCc1cc(-c2cc(C(O)C3CC3)n3ncnc(N)c23)cc(F)c1CO |
Homo sapiens |
CHEMBL3706167 |
single protein format |
CHEMBL3667971 |
OBDepict
HO
F
F
N
H
2
N
N
N
OH
N
H
|
IC50 |
= |
5.7 |
nM |
375.38 |
Nc1ncnn2c(C3(O)CCCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667974 |
OBDepict
HO
F
F
N
H
2
N
N
N
H
N
H
|
IC50 |
= |
5.9 |
nM |
359.38 |
Nc1ncnn2c([C@H]3CCCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667972 |
OBDepict
OH
N
NH
2
N
N
HN
|
IC50 |
= |
8.0 |
nM |
323.4 |
Nc1ncnn2c(C3CCNCC3)cc(-c3ccc(CO)cc3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3671318 |
OBDepict
CH
3
N
H
3
C
N
O
N
N
H
HN
O
N
H
CH
3
F
F
|
IC50 |
= |
9.157 |
nM |
506.56 |
CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN(C)C)C3 |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL3671309 |
OBDepict
H
3
C
N
N
O
N
N
H
HN
O
N
H
CH
3
H
F
F
F
F
|
IC50 |
= |
9.812 |
nM |
568.58 |
C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(C1CCN(C)CC1)C3=O |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL513147 |
OBDepict
HN
N
N
N
N
N
|
IC50 |
= |
13.3 |
nM |
406.49 |
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL3671310 |
OBDepict
CH
3
N
CH
3
N
O
O
N
N
H
NH
O
N
H
H
3
C
H
F
F
F
F
|
IC50 |
= |
14.03 |
nM |
556.52 |
C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL2385591 |
OBDepict
HN
N
N
N
N
N
|
IC50 |
= |
14.4 |
nM |
406.49 |
c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL3671320 |
OBDepict
CH
3
N
N
O
H
3
C
N
N
H
NH
O
N
H
H
3
C
F
F
F
F
|
IC50 |
= |
14.59 |
nM |
582.6 |
Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)C(=O)N(C1CCN(C)CC1)C2 |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL3667994 |
OBDepict
HO
F
F
N
H
2
N
N
N
OH
|
IC50 |
= |
15.0 |
nM |
374.39 |
Nc1ncnn2c(C3(O)CCCCC3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3671312 |
OBDepict
H
3
C
N
N
O
O
N
N
H
HN
O
N
H
CH
3
F
F
|
IC50 |
= |
15.11 |
nM |
546.58 |
CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C1CCN(C)CC1)C3=O |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL3671314 |
OBDepict
HO
N
O
N
N
N
H
HN
O
N
H
CH
3
H
F
F
F
F
|
IC50 |
= |
15.18 |
nM |
564.5 |
C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(O)N(c1cccnc1)C3=O |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL3819089 |
OBDepict
O
N
H
N
NH
Cl
O
O
|
IC50 |
= |
17.0 |
nM |
331.76 |
O=C(Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1)C1CC1 |
Homo sapiens |
CHEMBL3820157 |
single protein format |
CHEMBL3667983 |
OBDepict
OH
Cl
N
NH
2
N
N
N
O
|
IC50 |
= |
17.0 |
nM |
373.84 |
Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)c(Cl)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667981 |
OBDepict
OH
N
NH
2
N
N
N
O
|
IC50 |
= |
19.0 |
nM |
339.4 |
Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)cc3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3671319 |
OBDepict
CH
3
N
N
O
CH
3
N
N
H
NH
O
N
H
H
3
C
F
F
F
F
|
IC50 |
= |
23.7 |
nM |
582.6 |
Cc1c2c(cc3nc(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)[nH]c13)CN(C1CCN(C)CC1)C2=O |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL3668002 |
OBDepict
OH
F
N
N
NH
2
N
N
O
|
IC50 |
= |
25.0 |
nM |
343.36 |
Nc1ncnn2c(N3CCOCC3)cc(-c3ccc(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706167 |
single protein format |
CHEMBL3818656 |
OBDepict
O
N
H
N
N
CH
3
Cl
O
N
O
|
IC50 |
= |
26.0 |
nM |
346.77 |
CN(c1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cnc2c1OCO2 |
Homo sapiens |
CHEMBL3820157 |
single protein format |
CHEMBL511563 |
OBDepict
CH
3
O
N
N
N
N
|
IC50 |
= |
26.5 |
nM |
352.4 |
COc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL3341789 |
OBDepict
H
3
C
O
O
CH
3
O
CH
3
CH
3
N
N
HN
|
IC50 |
= |
27.0 |
nM |
419.53 |
COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc(OC)c1OC |
Homo sapiens |
CHEMBL3365514 |
cell-based format |
CHEMBL2385597 |
OBDepict
CH
3
O
H
3
C
N
N
N
N
|
IC50 |
= |
27.0 |
nM |
380.45 |
CC(C)Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL3667987 |
OBDepict
OH
F
F
N
NH
2
N
N
N
HO
|
IC50 |
= |
30.0 |
nM |
375.38 |
Nc1ncnn2c(CN3CCC(O)C3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667984 |
OBDepict
OH
CH
3
N
NH
2
N
N
N
O
|
IC50 |
= |
30.0 |
nM |
353.43 |
Cc1cc(-c2cc(CN3CCOCC3)n3ncnc(N)c23)ccc1CO |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667982 |
OBDepict
OH
F
F
N
NH
2
N
N
N
O
|
IC50 |
= |
30.0 |
nM |
375.38 |
Nc1ncnn2c(CN3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3671317 |
OBDepict
CH
3
N
H
3
C
N
O
O
N
N
H
HN
O
N
H
CH
3
F
F
|
IC50 |
= |
38.86 |
nM |
520.54 |
CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL4740381 |
OBDepict
CH
3
N
N
N
N
HN
|
IC50 |
= |
39.1 |
nM |
419.53 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2ccccc2n1 |
Homo sapiens |
CHEMBL4727753 |
single protein format |
CHEMBL3667968 |
OBDepict
HO
F
F
N
H
2
N
N
N
OH
O
|
IC50 |
= |
40.0 |
nM |
390.39 |
Nc1ncnn2c(C(O)C3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3818920 |
OBDepict
H
3
C
N
H
O
N
N
H
Cl
O
O
|
IC50 |
= |
40.0 |
nM |
319.75 |
CCC(=O)Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1 |
Homo sapiens |
CHEMBL3820157 |
single protein format |
CHEMBL2385579 |
OBDepict
H
N
N
N
N
N
N
O
|
IC50 |
= |
42.1 |
nM |
346.39 |
c1cc(N2CCOCC2)ccc1-c1cnc2c(-c3cn[nH]c3)cnn2c1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL502351 |
OBDepict
CH
3
O
N
N
N
N
|
IC50 |
= |
46.0 |
nM |
352.4 |
COc1ccc(-c2cnc3c(-c4cccc5ncccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL3671313 |
OBDepict
F
F
F
F
HN
CH
3
H
N
N
N
O
H
H
O
N
O
N
|
IC50 |
= |
47.3 |
nM |
562.48 |
C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(c1cccnc1)C3=O |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL3818628 |
OBDepict
CH
3
N
H
O
N
N
H
Cl
O
O
|
IC50 |
= |
48.0 |
nM |
305.72 |
CC(=O)Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1 |
Homo sapiens |
CHEMBL3820157 |
single protein format |
CHEMBL4283638 |
OBDepict
H
3
C
N
N
N
N
S
O
O
NH
2
|
IC50 |
= |
51.0 |
nM |
497.62 |
CC(c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1)N1CCCC1 |
Homo sapiens |
CHEMBL4263983 |
single protein format |
CHEMBL2385600 |
OBDepict
H
3
C
O
N
N
N
N
N
H
|
IC50 |
= |
52.4 |
nM |
291.31 |
COc1ccc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)cc1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL2385586 |
OBDepict
H
N
N
N
N
N
N
HN
|
IC50 |
= |
55.0 |
nM |
345.41 |
c1cc(N2CCNCC2)ccc1-c1cnc2c(-c3cn[nH]c3)cnn2c1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL3667977 |
OBDepict
H
3
C
S
N
N
N
N
H
2
N
HO
|
IC50 |
= |
60.0 |
nM |
351.44 |
CCc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL4099337 |
OBDepict
CH
3
O
OH
O
O
H
HO
H
CH
3
H
HO
O
|
IC50 |
= |
62.0 |
nM |
366.41 |
COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O |
Homo sapiens |
CHEMBL3998827 |
single protein format |
CHEMBL3667986 |
OBDepict
OH
F
F
N
NH
2
N
N
N
HO
|
IC50 |
= |
65.0 |
nM |
389.41 |
Nc1ncnn2c(CN3CCC(O)CC3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667988 |
OBDepict
OH
F
F
N
NH
2
N
N
N
OH
|
IC50 |
= |
70.0 |
nM |
389.41 |
Nc1ncnn2c(CN3CCCC(O)C3)cc(-c3cc(F)c(CO)c(F)c3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3667980 |
OBDepict
OH
N
NH
2
N
N
N
HN
|
IC50 |
= |
80.0 |
nM |
338.42 |
Nc1ncnn2c(CN3CCNCC3)cc(-c3ccc(CO)cc3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL4778971 |
OBDepict
F
F
N
N
H
3
C
N
N
H
N
H
|
IC50 |
= |
89.2 |
nM |
455.51 |
Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)cc(F)c2n1 |
Homo sapiens |
CHEMBL4727753 |
single protein format |
CHEMBL478629 |
OBDepict
N
O
N
N
N
N
|
IC50 |
= |
106.3 |
nM |
399.5 |
c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1 |
Homo sapiens |
CHEMBL2390526 |
single protein format |
CHEMBL3819259 |
OBDepict
O
N
H
N
NH
O
O
|
IC50 |
= |
120.0 |
nM |
297.31 |
O=C(Nc1cc(Nc2cccc3c2OCO3)ccn1)C1CC1 |
Homo sapiens |
CHEMBL3820157 |
single protein format |
CHEMBL2012519 |
OBDepict
CH
3
O
OH
O
O
H
HO
H
CH
3
H
HO
O
|
IC50 |
= |
125.0 |
nM |
364.39 |
COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O |
Homo sapiens |
CHEMBL3998827 |
single protein format |
CHEMBL3667985 |
OBDepict
OH
N
N
NH
2
N
N
N
O
|
IC50 |
= |
140.0 |
nM |
340.39 |
Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)nc3)c12 |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL4788859 |
OBDepict
F
N
N
H
3
C
N
N
HN
|
IC50 |
= |
166.3 |
nM |
437.52 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)ccc2n1 |
Homo sapiens |
CHEMBL4727753 |
single protein format |
CHEMBL3667989 |
OBDepict
OH
F
CH
3
N
NH
2
N
N
H
H
HO
|
IC50 |
= |
170.0 |
nM |
384.46 |
CCc1cc(-c2cc([C@H]3CC[C@H](O)CC3)n3ncnc(N)c23)cc(F)c1CO |
Homo sapiens |
CHEMBL3706168 |
single protein format |
CHEMBL3671315 |
OBDepict
CH
3
O
N
O
N
N
N
H
HN
O
N
H
CH
3
F
F
F
F
|
IC50 |
= |
174.4 |
nM |
578.53 |
COC1c2cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc3cc2C(=O)N1c1cccnc1 |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL3819276 |
OBDepict
O
N
H
N
N
H
Cl
O
O
|
IC50 |
= |
230.0 |
nM |
345.79 |
O=C(Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1)C1CCC1 |
Homo sapiens |
CHEMBL3820157 |
single protein format |
CHEMBL3671321 |
OBDepict
H
3
C
N
N
O
O
CH
3
N
N
H
HN
O
N
H
CH
3
F
F
F
F
|
IC50 |
= |
231.3 |
nM |
596.59 |
Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)C(=O)N(C1CCN(C)CC1)C2=O |
Homo sapiens |
CHEMBL3705956 |
single protein format |
CHEMBL4786529 |
OBDepict
F
F
N
N
H
3
C
N
N
HN
|
IC50 |
= |
308.8 |
nM |
455.51 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)cc(F)c2n1 |
Homo sapiens |
CHEMBL4727753 |
single protein format |
CHEMBL3818797 |
OBDepict
O
N
H
N
N
H
Cl
O
O
|
IC50 |
= |
340.0 |
nM |
367.79 |
O=C(Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1)c1ccccc1 |
Homo sapiens |
CHEMBL3820157 |
single protein format |
CHEMBL4061009 |
OBDepict
CH
3
O
OH
O
O
H
HO
H
CH
3
H
HO
H
HO
|
IC50 |
= |
770.0 |
nM |
368.43 |
COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)[C@@H](O)CCC[C@H](C)OC2=O |
Homo sapiens |
CHEMBL3998827 |
single protein format |
CHEMBL3818832 |
OBDepict
O
N
H
H
3
C
CH
3
N
N
H
Cl
O
O
|
IC50 |
= |
800.0 |
nM |
333.78 |
CC(C)C(=O)Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1 |
Homo sapiens |
CHEMBL3820157 |
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 |
= |
850.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL3268802 |
single protein format |
CHEMBL3817884 |
OBDepict
O
N
H
N
N
H
Cl
O
O
|
IC50 |
= |
940.0 |
nM |
359.81 |
O=C(Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1)C1CCCC1 |
Homo sapiens |
CHEMBL3820157 |
single protein format |
CHEMBL3818411 |
OBDepict
O
N
H
N
NH
N
|
IC50 |
= |
1000.0 |
nM |
254.29 |
O=C(Nc1cc(Nc2ccncc2)ccn1)C1CC1 |
Homo sapiens |
CHEMBL3820157 |
single protein format |