molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1801177 |
|
IC50 |
= |
10.0 |
nM |
352.44 |
CCOc1ccc(-n2nc3c(N4CC[C@H](N)C4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801206 |
OBDepict
CH
3
O
N
N
CH
3
N
N
CH
3
N
|
IC50 |
= |
22.0 |
nM |
337.43 |
CCOc1ccc(-n2nc3c(N4CCCC4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801207 |
OBDepict
H
3
C
O
N
N
CH
3
N
N
CH
3
N
|
IC50 |
= |
59.0 |
nM |
323.4 |
CCOc1ccc(-n2nc3c(N4CCC4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801179 |
OBDepict
CH
3
O
N
N
CH
3
N
N
CH
3
N
H
O
H
3
C
|
IC50 |
= |
79.0 |
nM |
367.45 |
CCOc1ccc(-n2nc3c(N4CC[C@@H](OC)C4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801186 |
OBDepict
H
3
C
O
N
N
H
3
C
N
N
H
3
C
N
H
F
|
IC50 |
= |
85.0 |
nM |
355.42 |
CCOc1ccc(-n2nc3c(N4CC[C@@H](F)C4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1059 |
OBDepict
NH
2
H
O
OH
CH
3
CH
3
|
Ki |
= |
99.0 |
nM |
159.23 |
CC(C)C[C@H](CN)CC(=O)O |
Homo sapiens |
CHEMBL4714157 |
cell membrane format |
CHEMBL1801180 |
OBDepict
CH
3
O
N
N
H
3
C
N
N
H
3
C
N
O
CH
3
|
IC50 |
= |
126.0 |
nM |
353.43 |
CCOc1ccc(-n2nc3c(N4CC(OC)C4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801205 |
OBDepict
CH
3
O
N
N
CH
3
N
N
CH
3
N
H
3
C
CH
3
|
IC50 |
= |
158.0 |
nM |
311.39 |
CCOc1ccc(-n2nc3c(N(C)C)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801192 |
OBDepict
CH
3
O
F
N
N
H
3
C
N
N
H
3
C
N
O
CH
3
|
IC50 |
= |
200.0 |
nM |
371.42 |
CCOc1ccc(-n2nc3c(N4CC(OC)C4)nnc(C)c3c2C)c(F)c1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801183 |
OBDepict
CH
3
O
H
3
C
N
N
H
3
C
N
N
H
3
C
N
|
IC50 |
= |
316.0 |
nM |
351.45 |
Cc1nnc(N2CCCC2)c2nn(-c3ccc(OC(C)C)cc3)c(C)c12 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801176 |
OBDepict
CH
3
O
N
N
CH
3
N
N
CH
3
N
HO
|
IC50 |
= |
398.0 |
nM |
367.45 |
CCOc1ccc(-n2nc3c(N4CCC(O)CC4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801182 |
OBDepict
H
3
C
N
N
N
H
3
C
N
N
O
F
F
F
|
IC50 |
= |
398.0 |
nM |
391.4 |
Cc1nnc(N2CCCC2)c2nn(-c3ccc(OCC(F)(F)F)cc3)c(C)c12 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801208 |
OBDepict
CH
3
O
N
N
CH
3
NH
N
CH
3
N
H
3
C
|
IC50 |
= |
537.0 |
nM |
297.36 |
CCOc1ccc(-n2nc3c(NC)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801184 |
OBDepict
Cl
Cl
N
N
CH
3
N
N
CH
3
N
|
IC50 |
= |
631.0 |
nM |
362.26 |
Cc1nnc(N2CCCC2)c2nn(-c3ccc(Cl)cc3Cl)c(C)c12 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801188 |
OBDepict
H
3
C
N
N
N
H
3
C
N
N
H
F
O
F
F
F
|
IC50 |
= |
631.0 |
nM |
409.39 |
Cc1nnc(N2CC[C@@H](F)C2)c2nn(-c3ccc(OCC(F)(F)F)cc3)c(C)c12 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801185 |
OBDepict
Cl
O
N
N
F
F
F
CH
3
N
N
CH
3
N
|
IC50 |
= |
794.0 |
nM |
411.82 |
Cc1nnc(N2CCCC2)c2nn(-c3ccc(Cl)cc3OC(F)(F)F)c(C)c12 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801187 |
OBDepict
H
3
C
O
N
N
H
3
C
N
N
H
3
C
N
F
F
|
IC50 |
= |
794.0 |
nM |
373.41 |
CCOc1ccc(-n2nc3c(N4CCC(F)(F)C4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801213 |
OBDepict
H
3
C
O
N
N
H
3
C
N
N
H
3
C
N
NH
|
IC50 |
= |
1000.0 |
nM |
366.47 |
CCOc1ccc(-n2nc3c(N4CCCNCC4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801211 |
OBDepict
CH
3
O
N
N
CH
3
N
N
CH
3
N
HN
|
IC50 |
= |
1000.0 |
nM |
352.44 |
CCOc1ccc(-n2nc3c(N4CCNCC4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |
CHEMBL1801209 |
OBDepict
CH
3
O
N
N
CH
3
N
N
CH
3
N
|
IC50 |
< |
1000.0 |
nM |
351.45 |
CCOc1ccc(-n2nc3c(N4CCCCC4)nnc(C)c3c2C)cc1 |
Homo sapiens |
CHEMBL1805884 |
single protein format |