molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL358539 |
|
IC50 |
= |
4.0 |
nM |
468.53 |
COc1ccc(S(=O)(=O)N2CCc3cc(OCc4ccccc4)ccc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718401 |
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 |
= |
6.0 |
nM |
388.47 |
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C |
Homo sapiens |
CHEMBL718401 |
single protein format |
CHEMBL148214 |
OBDepict
CH
3
O
S
N
O
O
HN
O
OH
O
OH
H
3
C
|
IC50 |
= |
6.0 |
nM |
408.43 |
COc1ccc(S(=O)(=O)N2CCc3cc(O)c(OC)cc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718401 |
single protein format |
CHEMBL147881 |
OBDepict
OH
N
H
O
N
S
O
O
O
|
IC50 |
= |
17.0 |
nM |
438.51 |
O=C(NO)C1c2ccc(OCc3ccccc3)cc2CCN1S(=O)(=O)c1ccccc1 |
Homo sapiens |
CHEMBL718401 |
single protein format |
CHEMBL147882 |
OBDepict
OH
N
H
O
N
S
O
O
H
3
C
OH
|
IC50 |
= |
19.0 |
nM |
362.41 |
Cc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718401 |
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 |
= |
20.0 |
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 |
CHEMBL718399 |
single protein format |
CHEMBL148171 |
OBDepict
HO
N
H
O
N
S
O
O
O
CH
3
OH
|
IC50 |
= |
29.0 |
nM |
378.41 |
COc1cc2c(cc1O)CCN(S(=O)(=O)c1ccccc1)C2C(=O)NO |
Homo sapiens |
CHEMBL718401 |
single protein format |
CHEMBL146718 |
OBDepict
OH
HN
O
N
S
O
O
CH
3
O
|
IC50 |
= |
44.0 |
nM |
452.53 |
Cc1ccc(S(=O)(=O)N2CCc3cc(OCc4ccccc4)ccc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718401 |
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 |
= |
71.0 |
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 |
CHEMBL718399 |
single protein format |
CHEMBL147489 |
OBDepict
HO
NH
O
N
S
O
O
+
N
O
_
O
OH
|
IC50 |
= |
126.0 |
nM |
393.38 |
O=C(NO)C1c2ccc(O)cc2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL718401 |
single protein format |
CHEMBL146289 |
OBDepict
OH
N
H
O
N
S
O
O
HO
|
IC50 |
= |
218.0 |
nM |
348.38 |
O=C(NO)C1c2ccc(O)cc2CCN1S(=O)(=O)c1ccccc1 |
Homo sapiens |
CHEMBL718401 |
single protein format |
CHEMBL148406 |
OBDepict
OH
N
H
O
N
S
O
O
H
2
N
OH
|
IC50 |
= |
385.0 |
nM |
363.4 |
Nc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718401 |
single protein format |
CHEMBL356124 |
OBDepict
OH
N
H
O
N
S
O
O
O
H
3
C
OH
|
IC50 |
= |
621.0 |
nM |
378.41 |
COc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3C2C(=O)NO)cc1 |
Homo sapiens |
CHEMBL718401 |
single protein format |