molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4776977 |
|
IC50 |
= |
12.0 |
nM |
548.66 |
O=C(Nc1cccc(N2CCC(F)(F)CC2)c1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2 |
Homo sapiens |
CHEMBL4714848 |
assay format |
CHEMBL4784192 |
OBDepict
OH
S
N
H
O
O
N
N
H
O
N
N
CH
3
O
|
IC50 |
= |
12.0 |
nM |
529.66 |
Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc1N1CCOCC1 |
Homo sapiens |
CHEMBL4731348 |
assay format |
CHEMBL4755023 |
OBDepict
HO
NH
S
O
O
N
N
H
O
N
O
F
F
F
|
IC50 |
= |
12.0 |
nM |
542.58 |
O=C(Nc1cccc(OCCC(F)(F)F)n1)c1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2 |
Homo sapiens |
CHEMBL4731348 |
assay format |
CHEMBL4777623 |
OBDepict
CH
3
N
HN
N
O
F
F
N
HN
S
O
O
H
3
C
|
IC50 |
= |
14.0 |
nM |
505.59 |
Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)nc(N2CC(F)(F)C2)c1 |
Homo sapiens |
CHEMBL4731348 |
assay format |
CHEMBL4752657 |
OBDepict
OH
S
H
3
C
H
N
H
O
O
N
N
H
O
N
O
F
F
F
|
IC50 |
= |
14.0 |
nM |
556.61 |
C[C@@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(N2CCC3(CC2)CC3)c1 |
Homo sapiens |
CHEMBL4731348 |
assay format |
CHEMBL4746340 |
OBDepict
OH
S
H
3
C
H
N
H
O
O
N
N
H
O
N
O
F
F
F
|
IC50 |
= |
16.0 |
nM |
556.61 |
C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(N2CCC3(CC2)CC3)c1 |
Homo sapiens |
CHEMBL4731348 |
assay format |
CHEMBL4777759 |
OBDepict
HO
NH
S
O
O
N
N
H
O
N
N
O
H
H
3
C
|
IC50 |
= |
16.0 |
nM |
529.66 |
C[C@@H]1CN(c2cccc(NC(=O)c3ccc(S(=O)(=O)NCCO)cc3N3CCC4(CC3)CC4)n2)CCO1 |
Homo sapiens |
CHEMBL4731348 |
assay format |
CHEMBL4750775 |
OBDepict
OH
S
N
H
O
O
N
N
H
O
N
N
F
F
|
IC50 |
= |
17.0 |
nM |
549.64 |
O=C(Nc1ccnc(N2CCC(F)(F)CC2)c1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2 |
Homo sapiens |
CHEMBL4731848 |
assay format |
CHEMBL4779888 |
OBDepict
OH
S
N
H
O
O
N
N
H
O
N
H
3
C
N
F
F
|
IC50 |
= |
17.0 |
nM |
563.67 |
Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(C2CCC(F)(F)CC2)n1 |
Homo sapiens |
CHEMBL4731848 |
assay format |
CHEMBL4751673 |
OBDepict
OH
S
H
3
C
H
N
H
O
O
N
N
H
O
N
N
N
O
H
H
3
C
|
IC50 |
= |
17.4 |
nM |
544.68 |
C[C@@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2ccnc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1 |
Homo sapiens |
CHEMBL4731848 |
assay format |
CHEMBL4776120 |
OBDepict
OH
S
N
H
O
O
N
N
H
O
N
H
3
C
N
N
|
IC50 |
= |
17.6 |
nM |
540.69 |
Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(N2CCC3(CC3)C2)n1 |
Homo sapiens |
CHEMBL4731848 |
assay format |
CHEMBL4743241 |
OBDepict
OH
S
N
H
O
O
N
N
H
O
N
H
3
C
N
O
|
IC50 |
= |
18.0 |
nM |
515.64 |
Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(OC2CCC2)n1 |
Homo sapiens |
CHEMBL4731848 |
assay format |
CHEMBL4740783 |
OBDepict
OH
S
N
H
O
O
N
N
H
O
N
H
3
C
N
N
H
CH
3
CH
3
OH
|
IC50 |
= |
18.0 |
nM |
532.67 |
Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(NC(C)(C)CO)n1 |
Homo sapiens |
CHEMBL4731848 |
assay format |
CHEMBL4759372 |
OBDepict
OH
S
N
H
O
O
N
NH
O
N
|
IC50 |
= |
26.0 |
nM |
512.68 |
O=C(Nc1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2)c1cccc(N2CCCCC2)c1 |
Homo sapiens |
CHEMBL4714848 |
assay format |
CHEMBL4757053 |
OBDepict
O
N
H
N
HN
S
S
HN
O
O
CH
3
CH
3
CH
3
O
O
H
3
C
CH
3
|
IC50 |
= |
26.0 |
nM |
562.76 |
CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1 |
Homo sapiens |
CHEMBL4714848 |
assay format |
CHEMBL4743666 |
OBDepict
O
N
H
N
N
H
S
S
N
H
O
O
CH
3
CH
3
H
3
C
O
O
CH
3
|
IC50 |
= |
27.0 |
nM |
534.7 |
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC2)CC3)c1 |
Homo sapiens |
CHEMBL4714848 |
assay format |
CHEMBL4786845 |
OBDepict
CH
3
HN
S
O
O
N
N
H
O
S
NH
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
29.0 |
nM |
534.7 |
CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c(N2CCC3(CC2)CC3)c1 |
Homo sapiens |
CHEMBL4714848 |
assay format |
CHEMBL4765048 |
OBDepict
OH
S
N
H
O
O
N
N
H
O
F
N
F
F
|
IC50 |
= |
29.0 |
nM |
566.65 |
O=C(Nc1cccc(N2CCC(F)(F)CC2)c1F)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2 |
Homo sapiens |
CHEMBL4714848 |
assay format |