molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3695459 |
|
IC50 |
= |
277.0 |
nM |
318.28 |
COc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1O |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL63323 |
OBDepict
OH
O
N
N
H
F
F
F
|
IC50 |
= |
289.0 |
nM |
282.22 |
O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL3695460 |
OBDepict
F
O
H
3
C
N
CH
3
N
H
|
IC50 |
= |
296.0 |
nM |
248.3 |
Cc1n[nH]c(C)c1CCCOc1ccccc1F |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL591504 |
OBDepict
CH
3
O
Br
Br
S
O
N
H
O
|
IC50 |
= |
301.0 |
nM |
393.06 |
COc1c(Br)cc(/C=C2SC(=O)NC2=O)cc1Br |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL1581319 |
OBDepict
CH
3
O
O
N
N
N
|
IC50 |
= |
329.1 |
nM |
267.29 |
CCOc1ccccc1-c1nc(-c2ccncc2)no1 |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL1835582 |
OBDepict
N
O
N
H
S
S
CH
3
CH
3
|
IC50 |
= |
433.0 |
nM |
290.41 |
CC1(C)NC(=O)C(C#N)=C(SCc2ccccc2)S1 |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL3695461 |
OBDepict
HO
O
N
H
HO
Cl
CH
3
|
IC50 |
= |
504.0 |
nM |
277.71 |
Cc1ccc(O)c(Nc2ccccc2C(=O)O)c1Cl |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL3695462 |
OBDepict
N
N
O
O
N
H
|
IC50 |
= |
586.0 |
nM |
325.33 |
N#CC1(C#N)c2c([nH]c3ccccc23)OC2c3ccccc3C(=O)C21 |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL28 |
OBDepict
OH
O
O
OH
HO
|
IC50 |
= |
653.0 |
nM |
270.24 |
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL168276 |
OBDepict
_
O
+
N
O
HO
+
N
OH
O
_
O
|
IC50 |
= |
741.0 |
nM |
200.11 |
O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1 |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL1256291 |
OBDepict
F
O
HO
+
N
HO
O
_
O
|
IC50 |
= |
755.0 |
nM |
277.21 |
O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL183906 |
OBDepict
O
N
H
S
O
F
F
F
|
IC50 |
= |
815.0 |
nM |
273.24 |
O=C1NC(=O)/C(=C/c2cccc(C(F)(F)F)c2)S1 |
Homo sapiens |
CHEMBL3705442 |
single protein format |
CHEMBL1348329 |
OBDepict
O
N
H
S
O
|
IC50 |
= |
842.0 |
nM |
255.3 |
O=C1NC(=O)/C(=C/c2cccc3ccccc23)S1 |
Homo sapiens |
CHEMBL3705442 |
single protein format |