molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL436456 |
|
IC50 |
= |
4.0 |
nM |
470.53 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL345488 |
OBDepict
OH
O
O
N
O
H
3
C
O
NH
2
Cl
Cl
|
IC50 |
= |
6.0 |
nM |
435.26 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1c(Cl)cccc1Cl |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL356606 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
6.0 |
nM |
456.5 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL347957 |
OBDepict
HO
O
O
N
O
O
NH
2
|
IC50 |
= |
6.0 |
nM |
468.51 |
NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2-c2ccccc2)c2cccc(OCC(=O)O)c12 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL357979 |
OBDepict
HO
O
O
N
O
CH
3
O
H
2
N
|
IC50 |
= |
6.0 |
nM |
442.47 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL345986 |
OBDepict
H
3
C
N
O
O
H
2
N
O
Cl
O
OH
|
IC50 |
= |
7.0 |
nM |
414.85 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc(Cl)c1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL180576 |
OBDepict
O
HN
S
O
O
O
N
O
CH
3
O
H
2
N
|
IC50 |
= |
7.0 |
nM |
559.64 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3c(c2n1Cc1ccccc1)CCCC3 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL433701 |
OBDepict
CH
3
N
CH
3
O
O
O
NH
2
O
OH
|
IC50 |
= |
8.0 |
nM |
388.46 |
CCCCCCCCn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL347748 |
OBDepict
H
3
C
N
O
O
H
2
N
CH
3
O
HO
|
IC50 |
= |
8.0 |
nM |
378.43 |
CCc1c(C(=O)C(N)=O)c2c(CC(=O)O)cc(C)cc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL179118 |
OBDepict
OH
O
O
N
O
H
3
C
O
H
2
N
F
|
IC50 |
= |
9.0 |
nM |
424.43 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1F)CCC3 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL355944 |
OBDepict
OH
O
O
N
O
H
3
C
O
NH
2
|
IC50 |
= |
9.0 |
nM |
442.47 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc(-c2ccccc2)c1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL148674 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
9.0 |
nM |
380.4 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL148795 |
OBDepict
HO
O
O
N
O
CH
3
O
H
2
N
Cl
|
IC50 |
= |
9.0 |
nM |
400.82 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1Cl |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL357804 |
OBDepict
OH
O
O
N
O
H
3
C
O
NH
2
|
IC50 |
= |
9.0 |
nM |
416.43 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc2ccccc12 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL422667 |
OBDepict
HO
O
O
CH
3
N
O
H
3
C
O
NH
2
|
IC50 |
= |
10.0 |
nM |
380.4 |
Cc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL361552 |
OBDepict
HO
O
O
N
O
CH
3
O
NH
2
|
IC50 |
= |
10.0 |
nM |
406.44 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1)CCC3 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL423762 |
OBDepict
H
2
N
O
CH
3
N
O
O
_
O
+
Na
|
IC50 |
= |
10.0 |
nM |
450.47 |
Cc1c(CC(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1-c1ccccc1.[Na+] |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL179966 |
OBDepict
OH
O
O
N
O
H
3
C
O
H
2
N
F
|
IC50 |
= |
10.0 |
nM |
424.43 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1cccc(F)c1)CCC3 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL425869 |
OBDepict
OH
O
O
N
O
H
3
C
O
H
2
N
|
IC50 |
= |
10.0 |
nM |
420.47 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1)CCCC3 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL4593409 |
OBDepict
NH
2
O
CH
3
H
O
OH
|
IC50 |
= |
10.0 |
nM |
373.45 |
C[C@H](Cc1cccc(-c2cc(Cc3ccccc3)ccc2C(N)=O)c1)C(=O)O |
Homo sapiens |
CHEMBL4431153 |
single protein format |
CHEMBL346196 |
OBDepict
OH
O
O
N
O
H
3
C
O
NH
2
|
IC50 |
= |
11.0 |
nM |
366.37 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL4451830 |
OBDepict
CH
3
O
OH
O
NH
2
|
IC50 |
= |
11.0 |
nM |
373.45 |
CC(Cc1cccc(-c2cc(Cc3ccccc3)ccc2C(N)=O)c1)C(=O)O |
Homo sapiens |
CHEMBL4431153 |
single protein format |
CHEMBL359005 |
OBDepict
HO
O
O
CH
3
H
N
O
H
3
C
O
NH
2
|
IC50 |
= |
11.0 |
nM |
380.4 |
Cc1c(C(=O)C(N)=O)c2c(O[C@H](C)C(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL148649 |
OBDepict
H
3
C
N
O
O
H
2
N
O
H
3
C
O
HO
|
IC50 |
= |
11.0 |
nM |
394.43 |
CCc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL435488 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
11.0 |
nM |
434.49 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1)CCCC3 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL425696 |
OBDepict
HO
O
O
N
O
CH
3
O
NH
2
|
IC50 |
= |
11.0 |
nM |
422.48 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3ccccc3c2n1CC1CCCCC1 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL4457557 |
OBDepict
HO
O
O
NH
2
|
IC50 |
= |
12.0 |
nM |
359.43 |
NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCC(=O)O)c1 |
Homo sapiens |
CHEMBL4431153 |
single protein format |
CHEMBL179658 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
13.0 |
nM |
420.47 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1)CCC3 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL514841 |
OBDepict
CH
3
O
N
O
O
H
2
N
CH
3
|
IC50 |
= |
14.0 |
nM |
386.45 |
CCc1c(C(=O)C(N)=O)c2c(OC)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990826 |
single protein format |
CHEMBL359304 |
OBDepict
CH
3
N
O
NH
2
O
CH
3
P
O
OH
OH
|
IC50 |
= |
15.0 |
nM |
444.47 |
CCc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)c(C)cc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL423219 |
OBDepict
HO
O
O
N
O
H
3
C
O
NH
2
CH
3
|
IC50 |
= |
15.0 |
nM |
380.4 |
Cc1ccccc1Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL487005 |
OBDepict
O
H
O
CH
3
H
H
O
H
3
C
H
O
CH
3
CH
3
H
CH
3
H
3
C
|
IC50 |
= |
15.0 |
nM |
428.61 |
CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)[C@H](C=O)[C@@]12C |
Homo sapiens |
CHEMBL767138 |
single protein format |
CHEMBL148601 |
OBDepict
CH
3
N
O
NH
2
O
Cl
P
O
OH
OH
|
IC50 |
= |
16.0 |
nM |
464.89 |
CCc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)ccc2n1Cc1cccc(Cl)c1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL4453126 |
OBDepict
OH
O
O
NH
2
|
IC50 |
= |
18.0 |
nM |
399.49 |
NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CC(C(=O)O)C2CC2)c1 |
Homo sapiens |
CHEMBL4431153 |
single protein format |
CHEMBL356699 |
OBDepict
H
2
N
O
Br
N
O
Cl
O
OH
|
IC50 |
= |
20.0 |
nM |
479.76 |
NC(=O)Cc1c(Br)n(Cc2ccccc2)c2cc(Cl)c(OCCCC(=O)O)cc12 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL4533403 |
OBDepict
H
3
C
O
OH
O
NH
2
|
IC50 |
= |
21.0 |
nM |
387.48 |
CCC(Cc1cccc(-c2cc(Cc3ccccc3)ccc2C(N)=O)c1)C(=O)O |
Homo sapiens |
CHEMBL4431153 |
single protein format |
CHEMBL1234914 |
OBDepict
HO
O
N
H
H
S
O
|
IC50 |
= |
21.0 |
nM |
503.71 |
O=C(O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 |
Homo sapiens |
CHEMBL761442 |
assay format |
CHEMBL262564 |
OBDepict
CH
3
N
O
NH
2
S
CH
3
O
OH
|
IC50 |
= |
22.0 |
nM |
424.57 |
CCc1c(CC(N)=O)c2cc(SCCCC(=O)O)c(C)cc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL423205 |
OBDepict
NH
2
O
H
3
C
N
O
P
O
OH
OH
|
IC50 |
= |
22.0 |
nM |
492.51 |
Cc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)ccc2n1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL146186 |
OBDepict
CH
3
N
O
NH
2
O
P
O
OH
OH
|
IC50 |
= |
23.0 |
nM |
430.44 |
CCc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)ccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL345756 |
OBDepict
H
3
C
N
O
H
2
N
S
O
HO
|
IC50 |
= |
23.0 |
nM |
410.54 |
CCc1c(CC(N)=O)c2cc(SCCCC(=O)O)ccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL348463 |
OBDepict
H
3
C
N
O
H
2
N
O
O
OH
|
IC50 |
= |
24.0 |
nM |
366.42 |
CCc1c(CC(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL358872 |
OBDepict
H
3
C
N
O
O
H
2
N
O
H
3
C
H
3
C
O
HO
|
IC50 |
= |
25.0 |
nM |
408.45 |
CCc1c(C(=O)C(N)=O)c2c(OC(C)(C)C(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL358163 |
OBDepict
OH
O
O
N
O
O
NH
2
|
IC50 |
= |
28.0 |
nM |
392.41 |
NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2)c2cccc(OCC(=O)O)c12 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL148452 |
OBDepict
HO
O
O
N
O
CH
3
O
H
2
N
F
|
IC50 |
= |
30.0 |
nM |
384.36 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL517821 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
CH
3
|
IC50 |
= |
30.0 |
nM |
454.53 |
CCc1c(C(=O)C(N)=O)c2c(OCC(C)=O)cccn2c1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL990826 |
single protein format |
CHEMBL358049 |
OBDepict
NH
2
O
Br
N
O
P
O
OH
OH
|
IC50 |
= |
33.0 |
nM |
481.28 |
NC(=O)Cc1c(Br)n(Cc2ccccc2)c2ccc(OCCCP(=O)(O)O)cc12 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL358380 |
OBDepict
CH
3
N
O
NH
2
O
CH
3
O
OH
|
IC50 |
= |
33.0 |
nM |
408.5 |
CCc1c(CC(N)=O)c2cc(OCCCC(=O)O)c(C)cc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL149453 |
OBDepict
H
3
C
N
O
H
2
N
S
CH
3
H
3
C
O
HO
|
IC50 |
= |
33.0 |
nM |
452.62 |
CCc1c(CC(N)=O)c2cc(SCCCC(=O)O)c(C(C)C)cc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL478821 |
OBDepict
CH
3
N
O
O
NH
2
O
CH
3
|
IC50 |
= |
35.0 |
nM |
412.49 |
CCc1c(C(=O)C(N)=O)c2c(OC)cccn2c1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL990826 |
single protein format |
CHEMBL4555962 |
OBDepict
NH
2
O
CH
3
H
O
OH
|
IC50 |
= |
38.0 |
nM |
373.45 |
C[C@@H](Cc1cccc(-c2cc(Cc3ccccc3)ccc2C(N)=O)c1)C(=O)O |
Homo sapiens |
CHEMBL4431153 |
single protein format |
CHEMBL146229 |
OBDepict
H
3
C
N
O
H
2
N
O
Cl
O
OH
|
IC50 |
= |
39.0 |
nM |
400.86 |
CCc1c(CC(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc(Cl)c1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL149075 |
OBDepict
CH
3
N
O
NH
2
O
H
3
C
CH
3
P
O
OH
OH
|
IC50 |
= |
40.0 |
nM |
472.52 |
CCc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)c(C(C)C)cc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL515637 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
40.0 |
nM |
430.46 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990826 |
single protein format |
CHEMBL150154 |
OBDepict
CH
3
N
O
H
2
N
O
P
O
O
OH
H
3
C
|
IC50 |
= |
40.0 |
nM |
444.47 |
CCc1c(CC(N)=O)c2cc(OCCCP(=O)(O)OC)ccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL148861 |
OBDepict
OH
O
O
N
O
H
3
C
O
NH
2
|
IC50 |
= |
43.0 |
nM |
442.47 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL4205008 |
OBDepict
OH
O
CH
3
N
N
O
NH
2
O
F
F
F
|
IC50 |
= |
44.0 |
nM |
407.35 |
CC(Cc1ccnc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)c1)C(=O)O |
Homo sapiens |
CHEMBL4199510 |
single protein format |
CHEMBL148500 |
OBDepict
NH
2
O
H
3
C
N
O
O
_
O
+
Na
|
IC50 |
= |
44.0 |
nM |
374.37 |
Cc1c(CC(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1.[Na+] |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL145978 |
OBDepict
NH
2
O
N
O
O
HO
|
IC50 |
= |
44.0 |
nM |
406.48 |
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCC(=O)O)cc12 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL358155 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
HO
|
IC50 |
= |
46.0 |
nM |
484.55 |
CCc1c(C(=O)C(N)=O)c2c(OC(CCc3ccccc3)C(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL146924 |
OBDepict
CH
3
N
O
O
NH
2
S
O
OH
|
IC50 |
= |
49.0 |
nM |
424.52 |
CCc1c(C(=O)C(N)=O)c2c(SCCCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL149030 |
OBDepict
CH
3
N
O
NH
2
O
S
O
O
OH
|
IC50 |
= |
50.0 |
nM |
430.53 |
CCc1c(CC(N)=O)c2cc(OCCCS(=O)(=O)O)ccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL1095155 |
OBDepict
CH
3
N
N
N
H
O
N
N
O
H
O
|
IC50 |
= |
50.0 |
nM |
555.81 |
CCCCCCCCCCCCCCCCCCN1CCN(C(=O)Nc2ccc(Cc3noc(=O)[nH]3)cc2)CC1 |
Homo sapiens |
CHEMBL1108228 |
single protein format |
CHEMBL356724 |
OBDepict
NH
2
O
H
3
C
N
S
H
3
C
O
OH
|
IC50 |
= |
51.0 |
nM |
410.54 |
Cc1cc(SCCCC(=O)O)cc2c(CC(N)=O)c(C)n(Cc3ccccc3)c12 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL148479 |
OBDepict
NH
2
O
H
3
C
N
O
O
_
O
Cl
+
Na
|
IC50 |
= |
52.0 |
nM |
408.82 |
Cc1c(CC(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1cccc(Cl)c1.[Na+] |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL424500 |
OBDepict
NH
2
O
H
3
C
N
O
O
HO
|
IC50 |
= |
52.0 |
nM |
352.39 |
Cc1c(CC(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL4214052 |
OBDepict
OH
O
CH
3
N
O
NH
2
O
F
F
F
|
IC50 |
= |
57.0 |
nM |
406.36 |
CC(Cc1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)c1)C(=O)O |
Homo sapiens |
CHEMBL4199510 |
single protein format |
CHEMBL149502 |
OBDepict
NH
2
O
H
3
C
N
O
P
O
OH
OH
|
IC50 |
= |
57.0 |
nM |
416.41 |
Cc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)ccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL355966 |
OBDepict
CH
3
N
O
NH
2
S
P
O
_
O
_
O
+
Na
+
Na
|
IC50 |
= |
58.0 |
nM |
490.47 |
CCc1c(CC(N)=O)c2cc(SCCCP(=O)([O-])[O-])ccc2n1Cc1ccccc1.[Na+].[Na+] |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL149562 |
OBDepict
H
3
C
N
O
H
2
N
S
O
HO
|
IC50 |
= |
59.0 |
nM |
396.51 |
CCc1c(CC(N)=O)c2cc(SCCC(=O)O)ccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL332993 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
60.0 |
nM |
456.5 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL990826 |
single protein format |
CHEMBL151141 |
OBDepict
O
N
H
H
S
O
OH
|
IC50 |
= |
65.0 |
nM |
489.68 |
O=C(O)C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 |
Homo sapiens |
CHEMBL761442 |
assay format |
CHEMBL4468927 |
OBDepict
OH
O
O
NH
2
|
IC50 |
= |
70.0 |
nM |
345.4 |
NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CC(=O)O)c1 |
Homo sapiens |
CHEMBL4431153 |
single protein format |
CHEMBL150005 |
OBDepict
H
2
N
O
Br
N
O
O
OH
|
IC50 |
= |
73.0 |
nM |
445.31 |
NC(=O)Cc1c(Br)n(Cc2ccccc2)c2ccc(OCCCC(=O)O)cc12 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL433767 |
OBDepict
H
3
C
O
O
O
N
O
CH
3
O
H
2
N
F
|
IC50 |
= |
73.0 |
nM |
438.46 |
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1F)CCC2 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL356306 |
OBDepict
H
2
N
O
N
O
P
O
OH
OH
|
IC50 |
= |
74.0 |
nM |
442.45 |
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCP(=O)(O)O)cc12 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL146198 |
OBDepict
NH
2
O
H
3
C
N
O
H
3
C
O
OH
|
IC50 |
= |
75.0 |
nM |
394.47 |
Cc1cc(OCCCC(=O)O)cc2c(CC(N)=O)c(C)n(Cc3ccccc3)c12 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL357003 |
OBDepict
H
2
N
O
Cl
N
O
O
OH
|
IC50 |
= |
77.0 |
nM |
400.86 |
NC(=O)Cc1c(Cl)n(Cc2ccccc2)c2ccc(OCCCC(=O)O)cc12 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL347052 |
OBDepict
H
3
C
N
O
O
O
H
2
N
O
O
OH
|
IC50 |
= |
81.0 |
nM |
394.38 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1C(=O)c1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL178675 |
OBDepict
OH
O
O
N
O
H
3
C
O
H
2
N
F
|
IC50 |
= |
82.0 |
nM |
424.43 |
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccc(F)cc1)CCC3 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL149952 |
OBDepict
H
3
C
N
O
O
NH
2
O
O
OH
|
IC50 |
= |
82.0 |
nM |
470.53 |
CCCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL341672 |
OBDepict
H
2
N
O
Br
N
HO
Cl
|
IC50 |
= |
85.0 |
nM |
393.67 |
NC(=O)Cc1c(Br)n(Cc2ccccc2)c2cc(Cl)c(O)cc12 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL4205511 |
OBDepict
OH
O
CH
3
N
N
O
NH
2
O
F
F
F
|
IC50 |
= |
92.0 |
nM |
407.35 |
CC(Cc1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)n1)C(=O)O |
Homo sapiens |
CHEMBL4199510 |
single protein format |
CHEMBL150059 |
OBDepict
H
3
C
S
N
O
H
2
N
O
O
H
2
N
|
IC50 |
= |
93.0 |
nM |
411.53 |
CSc1c(CC(N)=O)c2cc(OCCCC(N)=O)ccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL148665 |
OBDepict
HO
O
O
N
O
O
H
2
N
|
IC50 |
= |
96.0 |
nM |
352.35 |
NC(=O)C(=O)c1cn(Cc2ccccc2)c2cccc(OCC(=O)O)c12 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL407218 |
OBDepict
CH
3
N
N
O
N
N
O
H
O
|
IC50 |
= |
100.0 |
nM |
596.9 |
CCCCCCCCCCCCCCCCCCCCCCN1CCN(C(=O)c2ccc(Cc3noc(=O)[nH]3)cc2)CC1 |
Homo sapiens |
CHEMBL930688 |
single protein format |
CHEMBL178405 |
OBDepict
CH
3
O
O
O
N
O
O
NH
2
H
3
C
|
IC50 |
= |
100.0 |
nM |
448.52 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cc3c(c2n1Cc1ccccc1)CCCC3 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL446349 |
OBDepict
CH
3
N
O
O
NH
2
O
HN
O
S
O
O
|
IC50 |
= |
100.0 |
nM |
569.64 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL990826 |
single protein format |
CHEMBL270518 |
OBDepict
CH
3
N
N
O
N
N
O
H
O
|
IC50 |
= |
100.0 |
nM |
568.85 |
CCCCCCCCCCCCCCCCCCCCN1CCN(C(=O)c2ccc(Cc3noc(=O)[nH]3)cc2)CC1 |
Homo sapiens |
CHEMBL930688 |
single protein format |
CHEMBL425697 |
OBDepict
CH
3
O
O
O
N
O
H
3
C
O
NH
2
|
IC50 |
= |
106.0 |
nM |
420.47 |
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1)CCC2 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL179309 |
OBDepict
CH
3
O
O
O
N
O
O
NH
2
H
3
C
|
IC50 |
= |
108.0 |
nM |
434.49 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cc3c(c2n1Cc1ccccc1)CCC3 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL180063 |
OBDepict
H
3
C
O
O
O
N
O
CH
3
O
NH
2
|
IC50 |
= |
109.0 |
nM |
434.49 |
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1)CCCC2 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL4591759 |
OBDepict
OH
O
O
NH
2
|
IC50 |
= |
110.0 |
nM |
373.45 |
NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCCC(=O)O)c1 |
Homo sapiens |
CHEMBL4431153 |
single protein format |
CHEMBL146267 |
OBDepict
NH
2
O
N
HO
|
IC50 |
= |
118.0 |
nM |
320.39 |
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(O)cc12 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL519834 |
OBDepict
H
3
C
O
N
H
3
C
O
O
NH
2
CH
3
|
IC50 |
= |
120.0 |
nM |
394.52 |
CCCCCOc1ccccc1Cn1c(C)c(CC(N)=O)c2cc(OC)ccc21 |
Homo sapiens |
CHEMBL961427 |
single protein format |
CHEMBL149889 |
OBDepict
NH
2
NH
O
O
N
O
H
2
N
H
3
C
|
IC50 |
= |
121.0 |
nM |
380.45 |
CCc1c(CC(N)=O)c2c(OCC(=O)NN)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761443 |
single protein format |
CHEMBL149434 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
NH
2
|
IC50 |
= |
124.0 |
nM |
379.42 |
CCc1c(C(=O)C(N)=O)c2c(OCC(N)=O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL761440 |
single protein format |
CHEMBL208315 |
OBDepict
H
3
C
N
O
O
H
2
N
O
CH
3
O
OH
|
IC50 |
= |
125.0 |
nM |
394.43 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc(C)cc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL862125 |
single protein format |
CHEMBL178187 |
OBDepict
CH
3
O
O
O
N
O
H
3
C
O
NH
2
F
|
IC50 |
= |
132.0 |
nM |
438.46 |
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1cccc(F)c1)CCC2 |
Homo sapiens |
CHEMBL829138 |
single protein format |
CHEMBL4204172 |
OBDepict
CH
3
O
O
OH
N
O
H
2
N
O
F
F
F
|
IC50 |
= |
140.0 |
nM |
422.36 |
COC(Cc1cccc(-n2c(C(N)=O)cc3ccc(OC(F)(F)F)cc32)c1)C(=O)O |
Homo sapiens |
CHEMBL4199510 |
single protein format |