molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL359346 |
|
IC50 |
= |
130.0 |
nM |
341.44 |
CCN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)N(CC)C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL357092 |
OBDepict
CH
3
N
S
S
O
S
N
CH
3
N
F
F
F
|
IC50 |
= |
140.0 |
nM |
403.48 |
CCN1C(=O)/C(=C/c2ccc(-c3cc(C(F)(F)F)nn3C)s2)SC1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL150292 |
OBDepict
CH
2
N
O
N
S
H
3
C
O
O
H
3
C
H
3
C
|
IC50 |
= |
210.0 |
nM |
316.38 |
C=CCN1C(=O)n2c(c(C)c3c(OC)cc(OC)cc32)C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL356012 |
OBDepict
CH
2
N
S
N
S
H
3
C
O
O
H
3
C
H
3
C
|
IC50 |
= |
210.0 |
nM |
332.45 |
C=CCN1C(=S)c2c(C)c3c(OC)cc(OC)cc3n2C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL356830 |
OBDepict
CH
2
N
S
N
O
O
O
H
3
C
H
3
C
|
IC50 |
= |
280.0 |
nM |
302.36 |
C=CCN1C(=O)c2cc3c(OC)cc(OC)cc3n2C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL151203 |
OBDepict
H
3
C
O
O
O
N
H
3
C
S
N
O
CH
3
|
IC50 |
= |
280.0 |
nM |
320.37 |
CCN1C(=O)c2cc3c(OC)cc(OCOC)cc3n2C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL150886 |
OBDepict
CH
3
N
S
S
O
O
S
O
O
H
3
C
|
IC50 |
= |
300.0 |
nM |
379.48 |
CCN1C(=O)/C(=C/c2ccc(-c3ccsc3C(=O)OC)o2)SC1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL423208 |
OBDepict
CH
3
O
O
N
O
N
S
N
H
3
C
|
IC50 |
= |
310.0 |
nM |
367.43 |
CCN1C(=O)c2cc3c(OC)cc(OCc4ccccn4)cc3n2C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL146955 |
OBDepict
H
3
C
N
S
S
O
O
F
F
F
|
IC50 |
= |
320.0 |
nM |
383.42 |
CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL151686 |
OBDepict
CH
3
O
O
N
O
N
S
O
O
H
3
C
CH
3
CH
3
H
3
C
|
IC50 |
= |
390.0 |
nM |
390.46 |
CCN1C(=O)c2cc3c(OC)cc(OCC(=O)OC(C)(C)C)cc3n2C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL150992 |
OBDepict
H
3
C
N
O
S
N
O
CH
3
N
H
O
|
IC50 |
= |
400.0 |
nM |
433.53 |
CCN1C(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)N(CC)C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL359348 |
OBDepict
CH
3
N
O
S
N
O
CH
3
N
H
H
3
C
|
IC50 |
= |
600.0 |
nM |
341.44 |
CCN1C(=O)C(=Cc2c[nH]c3c(C)cccc23)C(=O)N(CC)C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL345772 |
OBDepict
CH
2
N
O
N
S
O
O
H
3
C
H
3
C
|
IC50 |
= |
610.0 |
nM |
302.36 |
C=CCN1C(=O)n2c(cc3c(OC)cc(OC)cc32)C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL355913 |
OBDepict
CH
3
O
O
N
CH
3
S
N
O
N
O
|
IC50 |
= |
670.0 |
nM |
389.48 |
COc1cc(OC)c2cc3n(c2c1)C(=S)N(CCCN1CCOCC1)C3=O |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL4213787 |
OBDepict
Cl
Cl
S
N
N
H
O
N
H
O
N
|
IC50 |
= |
770.0 |
nM |
393.25 |
O=C(NNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 |
Homo sapiens |
CHEMBL4195488 |
cell-based format |
CHEMBL151752 |
OBDepict
CH
2
N
S
N
O
O
O
H
3
C
O
H
3
C
H
3
C
|
IC50 |
= |
780.0 |
nM |
332.38 |
C=CCN1C(=O)c2cc3c(OC)c(OC)c(OC)cc3n2C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL347715 |
OBDepict
O
N
O
N
S
H
3
C
N
H
H
3
C
|
IC50 |
= |
790.0 |
nM |
451.55 |
Cc1ccccc1N1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)N(c2ccccc2C)C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL151578 |
OBDepict
CH
3
O
O
N
CH
3
S
N
O
H
3
C
|
IC50 |
= |
1000.0 |
nM |
290.34 |
CCN1C(=O)c2cc3c(OC)cc(OC)cc3n2C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |
CHEMBL345500 |
OBDepict
H
3
C
N
O
S
N
O
H
3
C
N
H
|
IC50 |
= |
1000.0 |
nM |
327.41 |
CCN1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)N(CC)C1=S |
Homo sapiens |
CHEMBL817776 |
single protein format |