molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL10770 |
|
IC50 |
= |
200.0 |
nM |
414.2 |
O=c1oc(Nc2ccccc2I)nc2cc3ccccc3cc12 |
Homo sapiens |
CHEMBL655961 |
single protein format |
CHEMBL10312 |
OBDepict
I
N
H
N
O
O
F
F
F
|
IC50 |
= |
400.0 |
nM |
432.14 |
O=c1oc(Nc2ccccc2I)nc2cc(C(F)(F)F)ccc12 |
Homo sapiens |
CHEMBL655961 |
single protein format |
CHEMBL10610 |
OBDepict
Cl
N
O
O
N
H
Cl
Cl
|
IC50 |
= |
400.0 |
nM |
341.58 |
O=c1oc(Nc2c(Cl)cccc2Cl)nc2cc(Cl)ccc12 |
Homo sapiens |
CHEMBL655961 |
single protein format |
CHEMBL10569 |
OBDepict
I
N
H
N
O
O
Cl
Cl
|
IC50 |
= |
500.0 |
nM |
433.03 |
O=c1oc(Nc2ccccc2I)nc2cc(Cl)c(Cl)cc12 |
Homo sapiens |
CHEMBL655961 |
single protein format |
CHEMBL4247936 |
OBDepict
O
N
H
H
N
O
H
3
C
CH
3
Cl
Cl
N
H
O
S
HN
NH
2
|
IC50 |
= |
600.0 |
nM |
536.49 |
CC(C)[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)N1CC=CC1C(=O)NCc1ccc(C(=N)N)s1 |
Homo sapiens |
CHEMBL4229689 |
single protein format |
CHEMBL10432 |
OBDepict
Cl
N
O
O
N
H
I
|
IC50 |
= |
700.0 |
nM |
398.59 |
O=c1oc(Nc2ccccc2I)nc2cc(Cl)ccc12 |
Homo sapiens |
CHEMBL655961 |
single protein format |
CHEMBL158926 |
OBDepict
I
O
N
O
|
IC50 |
= |
700.0 |
nM |
399.19 |
O=c1oc(-c2ccccc2I)nc2cc3ccccc3cc12 |
Homo sapiens |
CHEMBL655965 |
single protein format |
CHEMBL166801 |
OBDepict
CH
3
O
S
N
O
O
CH
3
N
O
O
|
IC50 |
= |
700.0 |
nM |
346.36 |
COc1ccc(S(=O)(=O)N(C)c2nc3ccccc3c(=O)o2)cc1 |
Homo sapiens |
CHEMBL661597 |
single protein format |
CHEMBL10248 |
OBDepict
CH
3
N
O
O
N
H
I
|
IC50 |
= |
800.0 |
nM |
378.17 |
Cc1ccc2c(=O)oc(Nc3ccccc3I)nc2c1 |
Homo sapiens |
CHEMBL655961 |
single protein format |
CHEMBL10065 |
OBDepict
I
N
H
N
O
O
+
N
O
_
O
|
IC50 |
= |
800.0 |
nM |
409.14 |
O=c1oc(Nc2ccccc2I)nc2cc([N+](=O)[O-])ccc12 |
Homo sapiens |
CHEMBL655961 |
single protein format |
CHEMBL274319 |
OBDepict
Cl
N
O
O
N
H
Cl
|
IC50 |
= |
800.0 |
nM |
307.14 |
O=c1oc(Nc2ccccc2Cl)nc2cc(Cl)ccc12 |
Homo sapiens |
CHEMBL655961 |
single protein format |
CHEMBL10132 |
OBDepict
CH
3
N
O
O
N
H
Cl
|
IC50 |
= |
900.0 |
nM |
286.72 |
Cc1ccc2c(=O)oc(Nc3ccccc3Cl)nc2c1 |
Homo sapiens |
CHEMBL655960 |
single protein format |
CHEMBL10252 |
OBDepict
Cl
N
H
Cl
N
O
O
|
IC50 |
= |
900.0 |
nM |
307.14 |
O=c1oc(Nc2c(Cl)cccc2Cl)nc2ccccc12 |
Homo sapiens |
CHEMBL655961 |
single protein format |
CHEMBL273264 |
OBDepict
NH
2
HN
NH
O
O
NH
H
2
N
|
IC50 |
= |
1000.0 |
nM |
347.38 |
N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 |
Homo sapiens |
CHEMBL655965 |
single protein format |