molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3895068 |
|
IC50 |
= |
14.0 |
nM |
401.53 |
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)CC2CCC(C(=O)O)CC2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3909546 |
OBDepict
CH
3
O
N
S
O
O
H
3
C
O
OH
|
IC50 |
= |
36.0 |
nM |
431.55 |
COc1cccc(CN(CC2CCC(C(=O)O)CC2)S(=O)(=O)c2ccc(C)cc2)c1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3907785 |
OBDepict
CH
3
S
N
O
O
F
O
OH
|
IC50 |
= |
54.0 |
nM |
413.47 |
Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3930803 |
OBDepict
CH
3
S
N
O
O
F
O
OH
|
IC50 |
= |
83.0 |
nM |
419.52 |
Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2CCC(C(=O)O)CC2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3905445 |
OBDepict
CH
3
O
S
N
O
O
F
O
OH
|
IC50 |
= |
92.0 |
nM |
435.52 |
COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2CCC(C(=O)O)CC2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3904387 |
OBDepict
CH
3
N
S
O
O
H
3
C
O
OH
|
IC50 |
= |
109.0 |
nM |
415.56 |
Cc1ccc(CN(CC2CCC(C(=O)O)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3901989 |
OBDepict
CH
3
O
N
S
O
O
HO
O
OH
|
IC50 |
= |
188.0 |
nM |
427.48 |
COc1cccc(CN(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(O)cc2)c1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3092287 |
OBDepict
CH
3
O
N
S
O
O
O
HO
|
IC50 |
= |
200.0 |
nM |
411.48 |
COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3946036 |
OBDepict
F
N
S
O
O
O
OH
|
IC50 |
= |
240.0 |
nM |
405.49 |
O=C(O)C1CCC(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL1401915 |
OBDepict
H
3
C
N
O
O
N
H
3
C
S
HN
O
O
O
O
|
IC50 |
= |
264.0 |
nM |
389.39 |
Cn1c(=O)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2n(C)c1=O |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3962122 |
OBDepict
CH
3
N
N
S
N
CH
3
O
N
O
N
O
CH
3
|
IC50 |
= |
292.0 |
nM |
363.44 |
Cc1nc(SCC(=O)N2CCCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3917592 |
OBDepict
CH
3
O
O
N
S
O
O
N
H
O
H
3
C
|
IC50 |
= |
334.0 |
nM |
472.61 |
CCOC(=O)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3972175 |
OBDepict
F
N
S
O
O
S
O
OH
|
IC50 |
= |
342.0 |
nM |
411.52 |
O=C(O)C1CCC(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccs2)CC1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3954153 |
OBDepict
CH
3
O
N
S
O
O
O
OH
|
IC50 |
= |
345.0 |
nM |
411.48 |
COc1cccc(CN(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccccc2)c1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL1082389 |
OBDepict
Cl
S
N
O
O
O
OH
|
IC50 |
= |
394.0 |
nM |
415.9 |
O=C(O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3892321 |
OBDepict
F
N
S
O
O
O
OH
|
IC50 |
= |
406.0 |
nM |
399.44 |
O=C(O)c1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3907807 |
OBDepict
F
N
S
O
O
O
OH
|
IC50 |
= |
429.0 |
nM |
399.44 |
O=C(O)c1ccc(CN(Cc2ccccc2F)S(=O)(=O)c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3976457 |
OBDepict
F
N
S
O
O
HO
O
OH
|
IC50 |
= |
459.0 |
nM |
415.44 |
O=C(O)c1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2ccc(O)cc2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3908011 |
OBDepict
N
N
H
O
O
N
S
N
|
IC50 |
= |
499.0 |
nM |
322.35 |
N#C/C(=Cc1ccco1)C(=O)Nc1nnc(-c2ccccc2)s1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3982886 |
OBDepict
N
N
S
O
O
H
3
C
O
OH
|
IC50 |
= |
499.0 |
nM |
426.54 |
Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)CC2CCC(C(=O)O)CC2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3894540 |
OBDepict
H
3
C
O
N
S
O
O
O
HO
O
|
IC50 |
= |
590.0 |
nM |
401.44 |
COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL1356858 |
OBDepict
CH
3
O
O
N
S
O
O
Cl
|
IC50 |
= |
672.0 |
nM |
450.0 |
CCOC(=O)C1CCC(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3978302 |
OBDepict
CH
3
O
O
CH
3
N
S
O
O
O
HO
|
IC50 |
= |
678.0 |
nM |
441.51 |
COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1OC |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3945665 |
OBDepict
CH
3
N
O
O
N
CH
3
S
NH
O
O
O
O
|
IC50 |
= |
706.0 |
nM |
403.42 |
Cn1c(=O)c2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc2n(C)c1=O |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3965603 |
OBDepict
O
HN
S
N
O
N
N
H
3
C
CH
3
O
|
IC50 |
= |
710.0 |
nM |
370.43 |
Cn1c(=O)c2c(SCC(=O)NCc3ccccc3)ccnc2n(C)c1=O |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL1499181 |
OBDepict
CH
3
N
N
S
N
CH
3
O
N
O
N
O
H
3
C
H
3
C
|
IC50 |
= |
721.0 |
nM |
391.5 |
CCc1nc(SCC(=O)N2CCC(C)CC2)c2c(=O)n(C)c(=O)n(C)c2n1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL1711155 |
OBDepict
H
3
C
O
N
O
N
O
S
N
N
O
N
N
H
3
C
CH
3
H
3
C
O
|
IC50 |
= |
763.0 |
nM |
450.52 |
CCOC(=O)N1CCN(C(=O)CSc2nc(CC)nc3c2c(=O)n(C)c(=O)n3C)CC1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3976205 |
OBDepict
CH
3
N
H
O
S
N
O
O
F
O
HO
|
IC50 |
= |
842.0 |
nM |
462.54 |
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2CCC(C(=O)O)CC2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3953366 |
OBDepict
CH
3
N
CH
3
O
S
N
CH
3
N
O
N
N
H
3
C
CH
3
O
|
IC50 |
= |
861.0 |
nM |
337.41 |
CCN(C)C(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2C |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL3916808 |
OBDepict
F
N
S
O
O
O
OH
|
IC50 |
= |
935.0 |
nM |
399.44 |
O=C(O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3887148 |
single protein format |
CHEMBL1419634 |
OBDepict
F
CH
3
HN
S
O
O
N
O
N
H
3
C
H
3
C
O
|
IC50 |
= |
935.0 |
nM |
377.4 |
Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C |
Homo sapiens |
CHEMBL3887148 |
single protein format |