molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4855730 |
|
IC50 |
= |
-65200.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804424 |
cell-based format |
CHEMBL4868141 |
OBDepict
H
2
N
N
O
O
HN
NH
S
O
O
|
IC50 |
= |
-52200.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804424 |
cell-based format |
CHEMBL4867931 |
OBDepict
H
3
C
O
N
H
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-29500.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804424 |
cell-based format |
CHEMBL4860979 |
OBDepict
F
S
N
O
O
CH
3
N
H
2
N
O
N
H
|
IC50 |
= |
-5000.0 |
nM |
466.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 |
Homo sapiens |
CHEMBL4804424 |
cell-based format |
CHEMBL226403 |
OBDepict
O
N
H
N
H
N
N
|
IC50 |
= |
210.0 |
nM |
340.39 |
O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 |
Homo sapiens |
CHEMBL904790 |
single protein format |
CHEMBL3263640 |
OBDepict
CH
3
NH
N
N
O
HN
N
N
H
H
3
C
H
3
C
CH
3
N
O
O
|
IC50 |
= |
213.0 |
nM |
589.7 |
Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nc[nH]c2n1 |
Homo sapiens |
CHEMBL3270965 |
single protein format |
CHEMBL388566 |
OBDepict
O
N
H
N
H
N
|
IC50 |
= |
660.0 |
nM |
289.34 |
O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4)c3)cc21 |
Homo sapiens |
CHEMBL904790 |
single protein format |