molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4867931 |
|
IC50 |
= |
-29500.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804425 |
cell-based format |
CHEMBL4868141 |
OBDepict
H
2
N
N
O
O
HN
NH
S
O
O
|
IC50 |
= |
-29400.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804425 |
cell-based format |
CHEMBL4860979 |
OBDepict
F
S
N
O
O
CH
3
N
H
2
N
O
N
H
|
IC50 |
= |
-1300.0 |
nM |
466.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 |
Homo sapiens |
CHEMBL4804425 |
cell-based format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
0.417 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328483 |
single protein format |
CHEMBL1940251 |
OBDepict
O
N
H
H
HN
N
F
N
O
N
H
2
N
N
N
CH
3
CH
3
|
IC50 |
= |
110.0 |
nM |
488.53 |
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL1942297 |
single protein format |
CHEMBL2064628 |
OBDepict
CH
3
N
CH
3
O
H
N
O
CH
3
H
3
C
N
N
H
N
H
O
CH
3
CH
3
H
3
C
|
IC50 |
= |
115.0 |
nM |
427.55 |
CN(C)C[C@@H](OC(=O)N1Cc2c(NC(=O)C(C)(C)C)n[nH]c2C1(C)C)c1ccccc1 |
Homo sapiens |
CHEMBL2067488 |
single protein format |
CHEMBL1940252 |
OBDepict
F
H
N
H
N
H
O
H
3
C
N
N
O
N
H
2
N
N
N
CH
3
CH
3
|
IC50 |
= |
590.0 |
nM |
502.55 |
CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccc(F)cc1 |
Homo sapiens |
CHEMBL1942297 |
single protein format |