molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1800440 |
|
IC50 |
= |
190.0 |
nM |
380.94 |
CN(C)C1CCc2c(C#Cc3ccc4c(Cl)c(CN)sc4c3)cccc21 |
Homo sapiens |
CHEMBL1804676 |
single protein format |
CHEMBL1800430 |
OBDepict
NH
2
S
Cl
HN
|
IC50 |
= |
220.0 |
nM |
352.89 |
NCc1sc2cc(C#Cc3ccc4c(c3)CNCC4)ccc2c1Cl |
Homo sapiens |
CHEMBL1804676 |
single protein format |
CHEMBL1800432 |
OBDepict
H
3
C
N
S
Cl
NH
2
|
IC50 |
= |
230.0 |
nM |
380.94 |
CCN1CCc2ccc(C#Cc3ccc4c(Cl)c(CN)sc4c3)cc2C1 |
Homo sapiens |
CHEMBL1804676 |
single protein format |
CHEMBL1800436 |
OBDepict
NH
2
S
Cl
N
CH
3
H
3
C
|
IC50 |
= |
230.0 |
nM |
394.97 |
CN(C)C1CCCc2c(C#Cc3ccc4c(Cl)c(CN)sc4c3)cccc21 |
Homo sapiens |
CHEMBL1804676 |
single protein format |
CHEMBL1800428 |
OBDepict
NH
2
S
Cl
CH
3
N
H
3
C
|
IC50 |
= |
270.0 |
nM |
380.94 |
CC1c2cc(C#Cc3ccc4c(Cl)c(CN)sc4c3)ccc2CCN1C |
Homo sapiens |
CHEMBL1804676 |
single protein format |
CHEMBL1800433 |
OBDepict
H
2
N
S
Cl
N
H
3
C
CH
3
|
IC50 |
= |
310.0 |
nM |
394.97 |
CC(C)N1CCc2ccc(C#Cc3ccc4c(Cl)c(CN)sc4c3)cc2C1 |
Homo sapiens |
CHEMBL1804676 |
single protein format |
CHEMBL1800331 |
OBDepict
NH
2
NH
N
H
3
C
CH
3
H
3
C
|
IC50 |
= |
460.0 |
nM |
381.52 |
CC(C)C1c2cc(C#Cc3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C |
Homo sapiens |
CHEMBL1804676 |
single protein format |
CHEMBL513153 |
OBDepict
H
2
N
N
NH
2
O
N
NH
2
N
|
IC50 |
= |
490.0 |
nM |
332.37 |
NC(N)=NC(=O)c1ncc(-c2cccc(-c3ccccc3)c2)nc1N |
Homo sapiens |
CHEMBL970525 |
assay format |
CHEMBL466668 |
OBDepict
NH
2
N
NH
2
O
N
NH
2
N
Cl
N
H
|
IC50 |
= |
510.0 |
nM |
355.79 |
NC(N)=NC(=O)c1nc(Cl)c(Nc2ccc3ccccc3c2)nc1N |
Homo sapiens |
CHEMBL970525 |
assay format |
CHEMBL1800437 |
OBDepict
CH
3
N
N
CH
3
S
Cl
H
2
N
|
IC50 |
= |
510.0 |
nM |
424.01 |
CCN(CC)N1CCCc2c(C#Cc3ccc4c(Cl)c(CN)sc4c3)cccc21 |
Homo sapiens |
CHEMBL1804676 |
single protein format |
CHEMBL467724 |
OBDepict
NH
2
N
NH
2
O
N
NH
2
N
S
|
IC50 |
= |
640.0 |
nM |
338.4 |
NC(N)=NC(=O)c1ncc(-c2cccc(-c3ccsc3)c2)nc1N |
Homo sapiens |
CHEMBL970525 |
assay format |
CHEMBL1800431 |
OBDepict
H
2
N
S
Cl
N
CH
3
|
IC50 |
= |
680.0 |
nM |
366.92 |
CN1CCc2ccc(C#Cc3ccc4c(Cl)c(CN)sc4c3)cc2C1 |
Homo sapiens |
CHEMBL1804676 |
single protein format |