molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4539276 |
|
IC50 |
= |
114.0 |
nM |
282.37 |
N#Cc1c(-c2ccc(O)cc2)c2c([nH]c1=S)CCCC2 |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL4585473 |
OBDepict
CH
3
O
O
O
Cl
Cl
S
O
O
|
IC50 |
= |
140.0 |
nM |
309.13 |
CCOC(=O)Oc1c(Cl)cc2oc(=O)sc2c1Cl |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL4462527 |
OBDepict
CH
3
O
O
O
Cl
O
S
O
|
IC50 |
= |
191.0 |
nM |
274.68 |
CCOC(=O)Oc1cc2oc(=O)sc2cc1Cl |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL4444266 |
OBDepict
CH
3
O
O
O
Cl
O
S
O
|
IC50 |
= |
236.0 |
nM |
260.65 |
COC(=O)Oc1cc2oc(=O)sc2cc1Cl |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL406369 |
OBDepict
CH
3
O
O
O
Br
Br
CH
3
S
O
O
|
IC50 |
< |
240.0 |
nM |
398.03 |
COC(=O)Oc1c(Br)c(C)c2oc(=O)sc2c1Br |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL3115927 |
OBDepict
CH
3
HN
O
O
Br
Br
O
S
O
|
IC50 |
< |
240.0 |
nM |
383.02 |
CNC(=O)Oc1c(Br)cc2sc(=O)oc2c1Br |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL4451022 |
OBDepict
Cl
Cl
N
HS
N
N
CH
3
H
3
C
|
IC50 |
< |
240.0 |
nM |
288.2 |
CC(C)c1nnc(S)n1-c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL4475993 |
OBDepict
CH
3
O
N
O
O
Br
|
IC50 |
= |
464.0 |
nM |
282.09 |
CC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21 |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL1532407 |
OBDepict
N
SH
N
O
|
IC50 |
= |
554.0 |
nM |
256.33 |
N#Cc1c(S)nc2c(c1-c1ccco1)CCCC2 |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL4592960 |
OBDepict
N
S
N
H
O
CH
3
|
IC50 |
= |
738.0 |
nM |
296.4 |
COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCCC3)cc1 |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL4442009 |
OBDepict
Cl
N
N
N
N
N
Cl
|
IC50 |
= |
943.0 |
nM |
240.05 |
Clc1ccc2nc(Cl)c3nnnn3c2c1 |
Homo sapiens |
CHEMBL4418840 |
single protein format |
CHEMBL1540912 |
OBDepict
CH
3
O
N
SH
N
|
IC50 |
= |
997.0 |
nM |
282.37 |
COc1ccc(-c2c(C#N)c(S)nc3c2CCC3)cc1 |
Homo sapiens |
CHEMBL4418840 |
single protein format |