molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4855730 |
|
IC50 |
= |
-16500.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804469 |
cell-based format |
CHEMBL4868141 |
OBDepict
H
2
N
N
O
O
HN
NH
S
O
O
|
IC50 |
= |
-4600.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804469 |
cell-based format |
CHEMBL4447308 |
OBDepict
O
HN
S
O
N
N
H
S
O
O
CH
3
|
IC50 |
= |
130.0 |
nM |
375.43 |
CS(=O)(=O)Nc1ccc(-c2cncc(/C=C3SC(=O)NC3=O)c2)cc1 |
Homo sapiens |
CHEMBL4406333 |
single protein format |
CHEMBL4436648 |
OBDepict
NH
HN
S
O
N
N
H
S
O
O
CH
3
|
IC50 |
= |
270.0 |
nM |
374.45 |
CS(=O)(=O)Nc1ccc(-c2cncc(/C=C3SC(=N)NC3=O)c2)cc1 |
Homo sapiens |
CHEMBL4406333 |
single protein format |
CHEMBL4454033 |
OBDepict
NH
HN
S
O
N
NH
2
N
H
S
O
O
CH
3
|
IC50 |
= |
660.0 |
nM |
389.46 |
CS(=O)(=O)Nc1ccc(-c2cc(/C=C3SC(=N)NC3=O)cnc2N)cc1 |
Homo sapiens |
CHEMBL4406333 |
single protein format |
CHEMBL4446338 |
OBDepict
H
3
C
N
CH
3
N
H
O
NH
O
N
H
N
N
N
H
|
IC50 |
= |
950.0 |
nM |
531.62 |
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)c2)cc1 |
Homo sapiens |
CHEMBL4345228 |
single protein format |
CHEMBL4449493 |
OBDepict
CH
3
N
CH
3
HN
O
N
O
N
H
N
N
N
N
H
|
IC50 |
= |
1000.0 |
nM |
538.66 |
CN(C)C/C=C/C(=O)NC1CCN(C(=O)Cc2cccc(Nc3cc(-c4cnc5[nH]ccc5c4)ncn3)c2)CC1 |
Homo sapiens |
CHEMBL4345228 |
single protein format |
CHEMBL1257003 |
OBDepict
N
O
OH
I
O
HO
OH
CH
3
|
IC50 |
= |
1000.0 |
nM |
437.19 |
COc1cc(/C=C(C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O |
Homo sapiens |
CHEMBL4345228 |
single protein format |