molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL234530 |
|
IC50 |
= |
1.0 |
nM |
562.63 |
NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL1010054 |
single protein format |
CHEMBL515980 |
OBDepict
OH
N
H
O
N
H
S
H
3
C
CH
3
O
O
O
O
OH
|
IC50 |
= |
1.56 |
nM |
422.46 |
CC(C)[C@H](C(=O)NO)N(CC(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1010054 |
single protein format |
CHEMBL514138 |
OBDepict
HO
N
H
O
N
H
S
CH
3
H
3
C
O
O
O
CH
3
N
ClH
|
IC50 |
= |
6.8 |
nM |
429.93 |
COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO)C(C)C)cc1.Cl |
Homo sapiens |
CHEMBL1010054 |
single protein format |
CHEMBL19611 |
OBDepict
OH
HN
O
H
N
H
O
CH
3
CH
3
H
NH
O
H
3
C
N
H
|
IC50 |
= |
8.0 |
nM |
388.47 |
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C |
Homo sapiens |
CHEMBL718405 |
single protein format |
CHEMBL472899 |
OBDepict
OH
HN
O
N
S
O
O
O
O
OH
|
IC50 |
= |
11.4 |
nM |
380.38 |
O=C(O)CN(CC(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1010054 |
single protein format |
CHEMBL148214 |
OBDepict
CH
3
O
S
N
O
O
HN
O
OH
O
OH
H
3
C
|
IC50 |
= |
16.0 |
nM |
408.43 |
COc1ccc(S(=O)(=O)N2CCc3cc(O)c(OC)cc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718405 |
single protein format |
CHEMBL147882 |
OBDepict
OH
N
H
O
N
S
O
O
H
3
C
OH
|
IC50 |
= |
21.0 |
nM |
362.41 |
Cc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718405 |
single protein format |
CHEMBL358539 |
OBDepict
OH
HN
O
N
S
O
O
O
CH
3
O
|
IC50 |
= |
22.0 |
nM |
468.53 |
COc1ccc(S(=O)(=O)N2CCc3cc(OCc4ccccc4)ccc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718405 |
single protein format |
CHEMBL573715 |
OBDepict
OH
NH
O
S
O
O
O
O
H
3
C
|
IC50 |
= |
32.0 |
nM |
413.45 |
COc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3CC(=O)NO)cc2)cc1 |
Homo sapiens |
CHEMBL1042359 |
single protein format |
CHEMBL88520 |
OBDepict
CH
3
HN
O
N
H
O
H
N
H
O
H
H
O
H
3
C
H
3
C
HN
O
OH
|
Ki |
= |
35.0 |
nM |
462.55 |
CNC(=O)CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1 |
Homo sapiens |
CHEMBL718403 |
single protein format |
CHEMBL147881 |
OBDepict
OH
N
H
O
N
S
O
O
O
|
IC50 |
= |
35.0 |
nM |
438.51 |
O=C(NO)C1c2ccc(OCc3ccccc3)cc2CCN1S(=O)(=O)c1ccccc1 |
Homo sapiens |
CHEMBL718405 |
single protein format |
CHEMBL1939846 |
OBDepict
OH
N
O
O
N
H
S
CH
3
CH
3
O
O
O
|
IC50 |
= |
39.0 |
nM |
404.44 |
CC(C)[C@@H]1C(=O)N(O)C(=O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1942113 |
single protein format |
CHEMBL148171 |
OBDepict
HO
N
H
O
N
S
O
O
O
CH
3
OH
|
IC50 |
= |
40.0 |
nM |
378.41 |
COc1cc2c(cc1O)CCN(S(=O)(=O)c1ccccc1)C2C(=O)NO |
Homo sapiens |
CHEMBL718405 |
single protein format |
CHEMBL234529 |
OBDepict
OH
HN
O
N
S
O
O
O
H
3
C
HN
O
S
O
O
NH
2
|
IC50 |
= |
44.0 |
nM |
500.56 |
COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 |
Homo sapiens |
CHEMBL1010054 |
single protein format |
CHEMBL179288 |
OBDepict
HO
NH
O
N
H
S
O
H
3
C
CH
3
O
O
H
3
C
CH
3
|
IC50 |
= |
51.0 |
nM |
406.5 |
CC(C)ON([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL1042359 |
single protein format |
CHEMBL561963 |
OBDepict
OH
HN
O
N
S
O
CH
3
CH
3
O
O
H
3
C
H
3
C
CH
3
H
3
C
|
IC50 |
= |
51.0 |
nM |
448.59 |
CC(C)ON(C(C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccc(C(C)C)cc2)cc1 |
Homo sapiens |
CHEMBL816872 |
single protein format |
CHEMBL146718 |
OBDepict
OH
HN
O
N
S
O
O
CH
3
O
|
IC50 |
= |
56.0 |
nM |
452.53 |
Cc1ccc(S(=O)(=O)N2CCc3cc(OCc4ccccc4)ccc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718405 |
single protein format |
CHEMBL91636 |
OBDepict
HO
NH
O
H
H
O
HN
O
H
3
C
H
3
C
H
O
N
H
NH
O
N
O
O
|
Ki |
= |
107.0 |
nM |
527.62 |
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO |
Homo sapiens |
CHEMBL718403 |
single protein format |
CHEMBL573714 |
OBDepict
OH
NH
O
S
O
O
O
H
3
C
|
IC50 |
= |
130.0 |
nM |
321.35 |
COc1ccc(S(=O)(=O)c2ccccc2CC(=O)NO)cc1 |
Homo sapiens |
CHEMBL1042359 |
single protein format |
CHEMBL584365 |
OBDepict
OH
NH
O
S
O
O
O
H
3
C
|
IC50 |
= |
130.0 |
nM |
397.45 |
COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3CC(=O)NO)cc2)cc1 |
Homo sapiens |
CHEMBL1042359 |
single protein format |
CHEMBL572780 |
OBDepict
OH
HN
O
CH
3
S
O
O
O
H
3
C
|
IC50 |
= |
150.0 |
nM |
411.48 |
COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3C(C)C(=O)NO)cc2)cc1 |
Homo sapiens |
CHEMBL1042359 |
single protein format |
CHEMBL147489 |
OBDepict
HO
NH
O
N
S
O
O
+
N
O
_
O
OH
|
IC50 |
= |
177.0 |
nM |
393.38 |
O=C(NO)C1c2ccc(O)cc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL718405 |
single protein format |
CHEMBL146289 |
OBDepict
OH
N
H
O
N
S
O
O
HO
|
IC50 |
= |
184.0 |
nM |
348.38 |
O=C(NO)C1c2ccc(O)cc2CCN1S(=O)(=O)c1ccccc1 |
Homo sapiens |
CHEMBL718405 |
single protein format |
CHEMBL234735 |
OBDepict
OH
HN
O
N
S
O
O
HN
O
S
O
O
NH
2
|
IC50 |
= |
186.0 |
nM |
546.63 |
NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 |
Homo sapiens |
CHEMBL1010054 |
single protein format |
CHEMBL148406 |
OBDepict
OH
N
H
O
N
S
O
O
H
2
N
OH
|
IC50 |
= |
202.0 |
nM |
363.4 |
Nc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718405 |
single protein format |
CHEMBL574370 |
OBDepict
OH
N
H
O
S
O
O
|
IC50 |
= |
220.0 |
nM |
367.43 |
O=C(Cc1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO |
Homo sapiens |
CHEMBL1042359 |
single protein format |
CHEMBL574605 |
OBDepict
OH
HN
O
CH
3
S
O
O
|
IC50 |
= |
470.0 |
nM |
381.45 |
CC(C(=O)NO)c1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL1042359 |
single protein format |
CHEMBL573936 |
OBDepict
CH
3
O
S
O
O
O
HO
|
IC50 |
= |
730.0 |
nM |
382.44 |
COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3CC(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL1042359 |
single protein format |
CHEMBL181244 |
OBDepict
OH
HN
O
N
S
O
O
O
CH
3
CH
3
|
IC50 |
= |
900.0 |
nM |
364.42 |
CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL816872 |
single protein format |
CHEMBL515083 |
OBDepict
OH
HN
O
N
S
O
O
O
H
3
C
O
OH
|
IC50 |
= |
996.0 |
nM |
318.31 |
COc1ccc(S(=O)(=O)N(CC(=O)O)CC(=O)NO)cc1 |
Homo sapiens |
CHEMBL1010054 |
single protein format |