molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4750435 |
|
IC50 |
= |
130.0 |
nM |
488.5 |
COc1ccc(-n2cc(-c3ccc4ccc(=O)oc4c3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1 |
Homo sapiens |
CHEMBL4712043 |
single protein format |
CHEMBL1650889 |
OBDepict
CH
3
O
O
N
N
N
HO
O
HO
N
H
O
|
IC50 |
= |
335.0 |
nM |
562.58 |
COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc34)nn2)cc1 |
Homo sapiens |
CHEMBL1664680 |
single protein format |
CHEMBL472004 |
OBDepict
OH
N
N
N
S
O
O
HO
S
O
O
OH
|
IC50 |
= |
355.0 |
nM |
459.46 |
O=S(=O)(O)c1ccc2cc(/N=N/c3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1 |
Homo sapiens |
CHEMBL3707579 |
single protein format |
CHEMBL1650891 |
OBDepict
O
N
H
N
N
Cl
N
O
O
HO
HO
CH
3
|
IC50 |
= |
378.0 |
nM |
581.03 |
Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3ccc(Cl)c4ccccc34)nn2)cc1 |
Homo sapiens |
CHEMBL1664680 |
single protein format |
CHEMBL1650892 |
OBDepict
O
N
H
N
N
N
O
O
HO
HO
CH
3
|
IC50 |
= |
408.0 |
nM |
546.58 |
Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc34)nn2)cc1 |
Homo sapiens |
CHEMBL1664680 |
single protein format |
CHEMBL1650893 |
OBDepict
CH
3
O
S
N
N
H
O
N
N
N
O
H
3
C
O
HO
HO
|
IC50 |
= |
486.0 |
nM |
583.63 |
COc1ccc2nc(NC(=O)CCCn3cc(-c4c(-c5cccc(C)c5)oc5cc(O)c(C(=O)O)cc45)nn3)sc2c1 |
Homo sapiens |
CHEMBL1664680 |
single protein format |
CHEMBL2316908 |
OBDepict
OH
O
HO
O
O
|
IC50 |
= |
760.0 |
nM |
446.46 |
O=C(O)c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)oc2cc1O |
Homo sapiens |
CHEMBL2317718 |
assay format |
CHEMBL2396718 |
OBDepict
CH
3
N
H
O
O
O
OH
O
OH
Cl
|
IC50 |
= |
910.0 |
nM |
503.94 |
CCCNC(=O)COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1 |
Homo sapiens |
CHEMBL2401201 |
single protein format |