molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4855542 |
|
IC50 |
= |
-4100.0 |
nM |
372.45 |
Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804351 |
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 |
= |
0.0635 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328333 |
single protein format |
CHEMBL573578 |
OBDepict
H
2
N
N
N
N
N
CH
3
H
3
C
CH
3
|
IC50 |
= |
8.0 |
nM |
331.42 |
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL1250110 |
assay format |
CHEMBL264406 |
OBDepict
H
2
N
N
N
N
N
H
3
C
H
3
C
CH
3
|
IC50 |
= |
97.0 |
nM |
317.4 |
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL1250110 |
assay format |
CHEMBL180239 |
OBDepict
CH
3
O
OH
N
N
H
O
HO
H
3
C
|
IC50 |
= |
290.0 |
nM |
364.4 |
COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)[nH]n2)ccc1O |
Homo sapiens |
CHEMBL2148930 |
single protein format |
CHEMBL181529 |
OBDepict
CH
3
O
OH
O
N
O
OH
CH
3
|
IC50 |
= |
680.0 |
nM |
365.39 |
COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)on2)ccc1O |
Homo sapiens |
CHEMBL2148930 |
single protein format |
CHEMBL4556306 |
OBDepict
CH
3
O
S
N
O
O
O
|
IC50 |
= |
790.0 |
nM |
429.58 |
COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4381690 |
single protein format |
CHEMBL4572769 |
OBDepict
CH
3
O
S
N
O
O
O
|
IC50 |
= |
810.0 |
nM |
511.73 |
COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccc(C3CCCCC3)cc2)cc1 |
Homo sapiens |
CHEMBL4381690 |
single protein format |
CHEMBL4515601 |
OBDepict
H
3
C
O
S
N
O
O
O
|
IC50 |
= |
840.0 |
nM |
401.53 |
COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCC2)c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4381690 |
single protein format |
CHEMBL3593777 |
OBDepict
N
N
N
H
F
H
NH
N
O
NH
2
N
H
|
IC50 |
= |
1000.0 |
nM |
379.4 |
N#Cc1ccc(N2CC[C@@H](Nc3c(C(N)=O)cnc4[nH]ccc34)[C@@H](F)C2)nc1 |
Homo sapiens |
CHEMBL3595090 |
single protein format |