molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL398714 |
|
IC50 |
= |
32.0 |
nM |
348.26 |
CC(C)(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O |
Homo sapiens |
CHEMBL923946 |
single protein format |
CHEMBL250091 |
OBDepict
Cl
Cl
N
N
S
O
O
CH
3
F
F
F
|
IC50 |
= |
91.0 |
nM |
345.13 |
CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F |
Homo sapiens |
CHEMBL923946 |
single protein format |
CHEMBL249091 |
OBDepict
H
3
C
HN
CH
3
N
N
S
O
O
CH
3
Cl
Cl
|
IC50 |
= |
107.0 |
nM |
334.23 |
CC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O |
Homo sapiens |
CHEMBL923946 |
single protein format |
CHEMBL402918 |
OBDepict
CH
3
HN
N
N
S
O
O
CH
3
Cl
Cl
|
IC50 |
= |
109.0 |
nM |
320.2 |
CCNc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O |
Homo sapiens |
CHEMBL923946 |
single protein format |
CHEMBL250747 |
OBDepict
Cl
Cl
N
N
S
O
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
253.0 |
nM |
319.21 |
CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O |
Homo sapiens |
CHEMBL923946 |
single protein format |
CHEMBL250310 |
OBDepict
CH
3
N
N
S
O
O
CH
3
Cl
Cl
|
IC50 |
= |
404.0 |
nM |
319.21 |
CCCc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O |
Homo sapiens |
CHEMBL923946 |
single protein format |
CHEMBL251760 |
OBDepict
H
3
C
CH
3
N
N
S
O
O
S
O
O
H
3
C
Cl
Cl
|
IC50 |
= |
459.0 |
nM |
473.4 |
CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1 |
Homo sapiens |
CHEMBL923946 |
single protein format |
CHEMBL251128 |
OBDepict
H
3
C
N
H
3
C
CH
3
N
N
S
O
O
CH
3
Cl
Cl
|
IC50 |
= |
460.0 |
nM |
348.25 |
CC(C)N(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O |
Homo sapiens |
CHEMBL923946 |
single protein format |
CHEMBL250928 |
OBDepict
Cl
Cl
N
N
S
N
O
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
530.0 |
nM |
320.2 |
CN(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O |
Homo sapiens |
CHEMBL923946 |
single protein format |
CHEMBL250748 |
OBDepict
CH
3
CH
3
N
N
S
O
O
O
O
Cl
Cl
|
IC50 |
= |
551.0 |
nM |
405.3 |
CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)CCC1OCCO1 |
Homo sapiens |
CHEMBL923946 |
single protein format |
CHEMBL1933364 |
OBDepict
HO
O
N
H
O
N
H
N
N
F
F
F
F
F
F
|
Ki |
= |
816.0 |
nM |
528.45 |
O=C(O)CCNC(=O)c1ccc(C(CCC(F)(F)F)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 |
Homo sapiens |
CHEMBL1937452 |
single protein format |
CHEMBL62444 |
OBDepict
HO
O
NH
O
N
H
HN
O
H
H
3
C
H
3
C
H
3
C
O
F
F
F
|
IC50 |
= |
1000.0 |
nM |
563.62 |
CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 |
Homo sapiens |
CHEMBL911100 |
single protein format |