molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2037351 |
|
IC50 |
= |
5.4 |
nM |
332.81 |
Cc1ccc(-n2sc(=O)n(Cc3ccc(Cl)cc3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037350 |
OBDepict
CH
3
N
S
O
N
O
|
IC50 |
= |
7.2 |
nM |
312.39 |
Cc1ccc(Cn2sc(=O)n(Cc3ccccc3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037352 |
OBDepict
CH
3
N
O
S
O
N
H
3
C
|
IC50 |
= |
8.6 |
nM |
312.39 |
Cc1ccc(Cn2c(=O)sn(-c3ccc(C)cc3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037229 |
OBDepict
CH
3
O
N
S
O
N
O
F
|
IC50 |
= |
10.9 |
nM |
332.36 |
COc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037234 |
OBDepict
H
3
C
N
S
O
N
O
F
|
IC50 |
= |
12.9 |
nM |
330.38 |
Cc1ccc(Cn2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037228 |
OBDepict
F
N
O
S
O
N
Cl
|
IC50 |
= |
13.5 |
nM |
336.77 |
O=c1sn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037365 |
OBDepict
H
3
C
H
3
C
N
O
S
O
N
CH
3
|
IC50 |
= |
14.0 |
nM |
264.35 |
Cc1ccc(-n2sc(=O)n(CC(C)C)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL24773 |
OBDepict
CH
3
N
O
S
O
N
H
3
C
|
IC50 |
= |
14.4 |
nM |
202.28 |
CCCCn1c(=O)sn(CC)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037235 |
OBDepict
CH
3
N
S
O
N
O
|
IC50 |
= |
14.4 |
nM |
298.37 |
Cc1ccc(-n2sc(=O)n(Cc3ccccc3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037354 |
OBDepict
CH
3
N
S
O
N
O
H
3
C
|
IC50 |
= |
14.5 |
nM |
312.39 |
Cc1ccc(-n2sc(=O)n(Cc3cccc(C)c3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2035006 |
OBDepict
CH
3
N
S
O
N
O
F
|
IC50 |
= |
15.6 |
nM |
282.34 |
CCCCn1sc(=O)n(Cc2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037227 |
OBDepict
F
N
O
S
O
N
|
IC50 |
= |
16.3 |
nM |
302.33 |
O=c1sn(-c2ccccc2)c(=O)n1Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037353 |
OBDepict
CH
3
N
S
O
N
O
Cl
|
IC50 |
= |
17.4 |
nM |
332.81 |
Cc1ccc(-n2sc(=O)n(Cc3cccc(Cl)c3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037358 |
OBDepict
CH
3
N
S
O
N
O
H
3
C
|
IC50 |
= |
18.9 |
nM |
222.27 |
Cc1ccc(-n2sc(=O)n(C)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037362 |
OBDepict
CH
3
N
O
S
O
N
H
3
C
|
IC50 |
= |
19.7 |
nM |
264.35 |
CCCCn1c(=O)sn(-c2ccc(C)cc2)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037357 |
OBDepict
CH
3
N
S
O
N
O
F
|
IC50 |
= |
22.3 |
nM |
254.29 |
CCn1sc(=O)n(Cc2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037359 |
OBDepict
H
3
C
N
S
O
N
O
CH
3
|
IC50 |
= |
22.3 |
nM |
160.2 |
CCn1sc(=O)n(C)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037360 |
OBDepict
H
3
C
N
S
O
N
O
CH
3
|
IC50 |
= |
23.5 |
nM |
188.25 |
CCCCn1sc(=O)n(C)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037236 |
OBDepict
O
S
N
N
O
|
IC50 |
= |
23.5 |
nM |
284.34 |
O=c1sn(-c2ccccc2)c(=O)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037238 |
OBDepict
CH
3
O
N
S
O
N
O
|
IC50 |
= |
23.9 |
nM |
314.37 |
COc1ccc(-n2sc(=O)n(Cc3ccccc3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037366 |
OBDepict
CH
3
N
S
O
N
O
H
3
C
CH
3
|
IC50 |
= |
26.3 |
nM |
202.28 |
CCn1sc(=O)n(CC(C)C)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037361 |
OBDepict
CH
3
N
O
S
O
N
H
3
C
H
3
C
CH
3
|
IC50 |
= |
27.8 |
nM |
188.25 |
Cn1c(=O)sn(C(C)(C)C)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037237 |
OBDepict
Cl
N
S
O
N
O
|
IC50 |
= |
28.7 |
nM |
318.79 |
O=c1sn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037368 |
OBDepict
CH
3
H
3
C
N
O
S
O
N
H
3
C
H
3
C
CH
3
|
IC50 |
= |
29.1 |
nM |
230.33 |
CC(C)Cn1c(=O)sn(C(C)(C)C)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037363 |
OBDepict
CH
3
N
S
O
N
O
H
3
C
|
IC50 |
= |
29.8 |
nM |
230.33 |
CCCCn1sc(=O)n(CCCC)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL1917204 |
OBDepict
CH
3
N
S
O
N
O
F
|
IC50 |
= |
30.1 |
nM |
316.36 |
Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037349 |
OBDepict
Cl
N
S
O
N
O
|
IC50 |
= |
32.5 |
nM |
318.79 |
O=c1sn(-c2cccc(Cl)c2)c(=O)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037356 |
OBDepict
CH
3
N
S
O
N
O
Cl
Cl
|
IC50 |
= |
34.2 |
nM |
367.26 |
Cc1ccc(-n2sc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037230 |
OBDepict
F
N
O
S
O
N
Cl
Cl
|
IC50 |
= |
35.7 |
nM |
371.22 |
O=c1sn(-c2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037348 |
OBDepict
CH
3
N
S
O
N
O
|
IC50 |
= |
38.2 |
nM |
298.37 |
Cc1cccc(-n2sc(=O)n(Cc3ccccc3)c2=O)c1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037367 |
OBDepict
CH
3
N
S
O
N
O
H
3
C
CH
3
|
IC50 |
= |
38.6 |
nM |
230.33 |
CCCCn1sc(=O)n(CC(C)C)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037233 |
OBDepict
F
N
O
S
O
N
Cl
|
IC50 |
= |
52.3 |
nM |
336.77 |
O=c1sn(-c2cccc(Cl)c2)c(=O)n1Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037364 |
OBDepict
CH
3
N
O
S
O
N
H
3
C
H
3
C
H
3
C
|
IC50 |
= |
53.6 |
nM |
230.33 |
CCCCn1c(=O)sn(C(C)(C)C)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037369 |
OBDepict
H
3
C
O
N
O
S
O
N
CH
3
|
IC50 |
= |
54.3 |
nM |
204.25 |
CCn1sc(=O)n(CCOC)c1=O |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037347 |
OBDepict
O
S
N
N
O
F
F
F
|
IC50 |
= |
57.4 |
nM |
352.34 |
O=c1sn(-c2cccc(C(F)(F)F)c2)c(=O)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037231 |
OBDepict
F
N
O
S
O
N
F
F
F
|
IC50 |
= |
79.3 |
nM |
370.33 |
O=c1sn(-c2cccc(C(F)(F)F)c2)c(=O)n1Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037346 |
OBDepict
Cl
Cl
N
S
O
N
O
|
IC50 |
= |
88.9 |
nM |
353.23 |
O=c1sn(-c2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037232 |
OBDepict
F
N
O
S
O
N
CH
3
|
IC50 |
= |
121.0 |
nM |
316.36 |
Cc1cccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)c1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |
CHEMBL2037355 |
OBDepict
CH
3
O
N
O
S
O
N
CH
3
|
IC50 |
= |
176.0 |
nM |
328.39 |
COc1ccc(Cn2c(=O)sn(-c3ccc(C)cc3)c2=O)cc1 |
Homo sapiens |
CHEMBL2039222 |
single protein format |