molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL209497 |
|
Ki |
= |
5.0 |
nM |
479.5 |
O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1cccc(OCCN2CCCC2)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL209498 |
OBDepict
O
N
N
O
F
F
F
N
|
Ki |
= |
8.0 |
nM |
493.53 |
O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1cccc(OCCN2CCCCC2)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL378991 |
OBDepict
CH
3
N
CH
3
HO
O
N
O
N
F
F
F
|
Ki |
= |
15.0 |
nM |
511.54 |
CCN(CC)CC(O)COc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL210288 |
OBDepict
O
N
N
F
F
F
|
Ki |
= |
17.0 |
nM |
366.34 |
O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1 |
Homo sapiens |
CHEMBL864918 |
single protein format |
CHEMBL378825 |
OBDepict
H
3
C
N
H
3
C
O
N
O
N
F
F
F
|
Ki |
= |
21.0 |
nM |
495.55 |
CCN(CC)CCCOc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL211398 |
OBDepict
CH
3
N
H
3
C
O
N
O
N
F
F
F
|
Ki |
= |
26.0 |
nM |
453.46 |
CN(C)CCOc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL209642 |
OBDepict
CH
3
N
CH
3
HO
H
O
N
O
N
F
F
F
|
Ki |
= |
27.0 |
nM |
511.54 |
CCN(CC)C[C@H](O)COc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL377468 |
OBDepict
CH
3
N
H
3
C
O
N
O
N
F
F
F
|
Ki |
= |
29.0 |
nM |
467.49 |
CN(C)CCCOc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL213893 |
OBDepict
H
3
C
N
H
3
C
O
N
O
N
F
F
F
|
Ki |
= |
34.0 |
nM |
495.55 |
CCN(CC)CCCOc1ccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL383941 |
OBDepict
CH
3
N
O
CH
3
N
O
N
F
F
F
|
Ki |
= |
38.0 |
nM |
467.49 |
CCN(CC)COc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL209476 |
OBDepict
H
3
C
N
H
3
C
O
N
O
N
F
F
F
|
Ki |
= |
45.0 |
nM |
509.57 |
CCN(CC)CCCCOc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL211031 |
OBDepict
O
N
N
O
F
F
F
N
|
Ki |
= |
49.0 |
nM |
493.53 |
O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1cccc(OCCCN2CCCC2)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL211169 |
OBDepict
CH
3
N
H
3
C
O
N
F
F
F
|
Ki |
= |
52.0 |
nM |
360.38 |
CCC(CC)N1C(=O)/C(=N/c2ccc(C(F)(F)F)cc2)c2ccccc21 |
Homo sapiens |
CHEMBL864918 |
single protein format |
CHEMBL377328 |
OBDepict
CH
3
N
CH
3
O
N
O
N
F
F
F
|
Ki |
= |
70.0 |
nM |
509.57 |
CCN(CC)CCCCOc1ccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL211467 |
OBDepict
H
3
C
N
H
3
C
O
N
O
N
F
F
F
|
Ki |
= |
78.0 |
nM |
481.52 |
CCN(CC)CCOc1ccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL209481 |
OBDepict
H
3
C
N
H
3
C
O
N
O
N
F
F
F
|
Ki |
= |
87.0 |
nM |
481.52 |
CCN(CC)CCOc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL387401 |
OBDepict
CH
N
O
N
F
F
F
|
Ki |
= |
89.0 |
nM |
328.29 |
C#CCN1C(=O)/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc21 |
Homo sapiens |
CHEMBL864918 |
single protein format |
CHEMBL209730 |
OBDepict
H
3
C
N
CH
3
O
N
O
N
F
F
F
|
Ki |
= |
89.0 |
nM |
453.46 |
CN(C)CCOc1ccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)cc1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL212729 |
OBDepict
CH
2
N
O
N
Cl
Cl
|
Ki |
= |
150.0 |
nM |
331.2 |
C=CCN1C(=O)/C(=N/c2ccc(Cl)c(Cl)c2)c2ccccc21 |
Homo sapiens |
CHEMBL864918 |
single protein format |
CHEMBL211522 |
OBDepict
CH
3
N
CH
3
HO
H
O
N
O
N
F
F
F
|
Ki |
= |
290.0 |
nM |
511.54 |
CCN(CC)C[C@@H](O)COc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL378877 |
OBDepict
O
N
H
N
Cl
Cl
|
Ki |
= |
437.0 |
nM |
291.14 |
O=C1Nc2ccccc2/C1=Nc1cccc(Cl)c1Cl |
Homo sapiens |
CHEMBL864918 |
single protein format |
CHEMBL209480 |
OBDepict
O
N
H
N
F
F
F
|
Ki |
= |
596.0 |
nM |
290.24 |
O=C1Nc2ccccc2/C1=Nc1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL864918 |
single protein format |
CHEMBL425250 |
OBDepict
O
N
N
O
N
F
F
F
|
Ki |
= |
790.0 |
nM |
479.5 |
O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1OCCN1CCCC1 |
Homo sapiens |
CHEMBL866716 |
single protein format |
CHEMBL209737 |
OBDepict
Cl
N
O
N
H
|
Ki |
= |
850.0 |
nM |
256.69 |
O=C1Nc2ccccc2/C1=Nc1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL864918 |
single protein format |
CHEMBL212224 |
OBDepict
H
3
C
N
H
3
C
O
N
O
N
F
F
F
|
Ki |
= |
1000.0 |
nM |
481.52 |
CCN(CC)CCOc1ccccc1N1C(=O)/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc21 |
Homo sapiens |
CHEMBL866716 |
single protein format |