molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL292700 |
|
Ki |
= |
5.6 |
nM |
341.27 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(O)c(O)c2)n1 |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL58396 |
OBDepict
HO
O
N
OH
OH
OH
HO
|
Ki |
= |
7.5 |
nM |
327.29 |
O=C(O)c1cc2cc(O)c(O)cc2c(Cc2ccc(O)c(O)c2)n1 |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL56978 |
OBDepict
OH
O
N
OH
OH
HO
HO
|
Ki |
= |
8.0 |
nM |
327.29 |
O=C(O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(O)cc2n1 |
Homo sapiens |
CHEMBL698358 |
single protein format |
CHEMBL292841 |
OBDepict
Cl
O
Cl
F
O
N
O
OH
HO
OH
|
Ki |
= |
9.0 |
nM |
488.25 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Oc3cc(Cl)cc(Cl)c3)c(F)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL56740 |
OBDepict
CH
3
O
F
O
N
O
OH
OH
OH
|
Ki |
= |
9.4 |
nM |
433.39 |
Cc1ccc(Oc2ccc(C(=O)c3nc(C(=O)O)cc4cc(O)c(O)cc34)cc2F)cc1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL300828 |
OBDepict
Cl
O
F
O
N
O
OH
HO
OH
|
Ki |
= |
11.0 |
nM |
453.81 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Oc3cccc(Cl)c3)c(F)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL294258 |
OBDepict
CH
3
CH
3
H
3
C
OH
N
O
OH
OH
HO
|
Ki |
= |
11.0 |
nM |
353.37 |
Cc1cc(C)c(C(O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)c(C)c1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL292890 |
OBDepict
F
O
O
N
Cl
Cl
O
OH
HO
OH
|
Ki |
= |
12.0 |
nM |
488.25 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)c(F)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL131104 |
OBDepict
O
N
O
OH
OH
HO
|
Ki |
= |
13.0 |
nM |
359.34 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc3ccccc3c2)n1 |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL61192 |
OBDepict
OH
N
O
OH
OH
HO
F
F
F
|
Ki |
= |
18.0 |
nM |
379.29 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(O)c2ccc(C(F)(F)F)cc2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL57760 |
OBDepict
Cl
O
F
O
N
O
OH
HO
OH
|
Ki |
= |
20.0 |
nM |
453.81 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL56720 |
OBDepict
F
OH
N
O
OH
HO
OH
|
Ki |
= |
24.0 |
nM |
329.28 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(O)c2cccc(F)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL56721 |
OBDepict
OH
O
N
OH
HO
OH
Cl
|
Ki |
= |
25.0 |
nM |
345.74 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(O)c2ccccc2Cl)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL128554 |
OBDepict
O
N
O
OH
HO
OH
|
Ki |
= |
27.0 |
nM |
359.34 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2cccc3ccccc23)n1 |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL130994 |
OBDepict
OH
N
O
OH
HO
OH
HO
|
Ki |
= |
28.0 |
nM |
313.26 |
O=C(c1ccc(O)c(O)c1)c1nc(O)cc2cc(O)c(O)cc12 |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL301887 |
OBDepict
O
N
Cl
O
OH
OH
Cl
HO
|
Ki |
= |
29.0 |
nM |
378.17 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Cl)c(Cl)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL336069 |
OBDepict
OH
N
OH
HO
HO
HO
|
Ki |
= |
29.0 |
nM |
299.28 |
Oc1cc2cc(O)c(O)cc2c(Cc2ccc(O)c(O)c2)n1 |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL301447 |
OBDepict
Cl
S
F
O
N
O
OH
HO
OH
|
Ki |
= |
31.0 |
nM |
469.88 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Sc3ccc(Cl)cc3)c(F)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL57742 |
OBDepict
O
N
O
OH
OH
+
N
HO
O
_
O
|
Ki |
= |
32.0 |
nM |
354.27 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc([N+](=O)[O-])cc2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL57084 |
OBDepict
F
O
O
N
O
OH
HO
OH
|
Ki |
= |
32.0 |
nM |
495.46 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Oc3ccc(-c4ccccc4)cc3)c(F)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL57564 |
OBDepict
HO
O
N
O
OH
OH
F
O
F
F
F
|
Ki |
= |
32.0 |
nM |
487.36 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)c(F)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL291454 |
OBDepict
OH
N
O
HO
OH
O
OH
|
Ki |
= |
32.0 |
nM |
403.39 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(O)c2ccc(Oc3ccccc3)cc2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL57388 |
OBDepict
O
N
O
OH
OH
HO
F
F
F
|
Ki |
= |
38.0 |
nM |
377.27 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(C(F)(F)F)cc2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL128555 |
OBDepict
Cl
Cl
O
N
O
HO
OH
OH
|
Ki |
= |
44.0 |
nM |
378.17 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Cl)cc2Cl)n1 |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL293339 |
OBDepict
O
N
F
O
OH
OH
F
HO
|
Ki |
= |
51.0 |
nM |
345.26 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(F)c(F)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL128883 |
OBDepict
OH
OH
O
N
OH
OH
|
Ki |
= |
58.0 |
nM |
297.27 |
O=C(c1ccc(O)c(O)c1)c1nccc2cc(O)c(O)cc12 |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL57745 |
OBDepict
HO
O
N
O
NH
2
OH
OH
HO
|
Ki |
= |
60.0 |
nM |
340.29 |
Nc1cc2cc(C(=O)O)nc(C(=O)c3ccc(O)c(O)c3)c2cc1O |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL57769 |
OBDepict
CH
3
N
H
CH
3
F
O
N
O
OH
OH
OH
|
Ki |
= |
62.0 |
nM |
454.5 |
CCCCC(CC)CNc1ccc(C(=O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)cc1F |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL292612 |
OBDepict
O
N
O
O
HO
OH
O
OH
|
Ki |
= |
70.0 |
nM |
353.29 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc3c(c2)OCO3)n1 |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL128111 |
OBDepict
H
3
C
O
OH
Br
N
O
O
HO
OH
HO
|
Ki |
= |
70.0 |
nM |
434.2 |
COc1cc2c(C(=O)c3ccc(O)c(O)c3)nc(C(=O)O)cc2c(Br)c1O |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL293379 |
OBDepict
HO
O
N
HO
OH
O
O
|
Ki |
= |
72.0 |
nM |
339.3 |
O=C(O)c1cc2cc(O)c(O)cc2c(Cc2ccc3c(c2)OCO3)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL416319 |
OBDepict
CH
3
CH
3
H
3
C
O
N
O
OH
OH
HO
|
Ki |
= |
100.0 |
nM |
351.36 |
Cc1cc(C)c(C(=O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)c(C)c1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL58431 |
OBDepict
O
N
O
OH
OH
N
H
HO
S
O
O
CH
3
|
Ki |
= |
110.0 |
nM |
402.38 |
CS(=O)(=O)Nc1ccc(C(=O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)cc1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL57604 |
OBDepict
F
O
N
O
OH
HO
OH
|
Ki |
= |
110.0 |
nM |
327.27 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2cccc(F)c2)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL60573 |
OBDepict
OH
O
N
O
HO
OH
Cl
|
Ki |
= |
110.0 |
nM |
343.72 |
O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccccc2Cl)n1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL292844 |
OBDepict
H
2
N
O
N
O
OH
HO
OH
|
Ki |
= |
130.0 |
nM |
324.29 |
Nc1ccc(C(=O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)cc1 |
Homo sapiens |
CHEMBL698359 |
single protein format |
CHEMBL132276 |
OBDepict
CH
3
O
OH
Br
N
O
OH
O
OH
HO
|
Ki |
= |
140.0 |
nM |
434.2 |
COc1cc2cc(C(=O)O)nc(C(=O)c3ccc(O)c(O)c3)c2c(Br)c1O |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL339236 |
OBDepict
H
3
C
O
OH
O
N
O
OH
HO
O
CH
3
|
Ki |
= |
320.0 |
nM |
369.33 |
COc1ccc(C(=O)c2nc(C(=O)O)cc3cc(OC)c(O)cc23)cc1O |
Homo sapiens |
CHEMBL698360 |
single protein format |
CHEMBL57992 |
OBDepict
O
N
O
O
HO
OH
O
NH
2
|
Ki |
= |
850.0 |
nM |
352.3 |
Nc1cc2cc(C(=O)O)nc(C(=O)c3ccc4c(c3)OCO4)c2cc1O |
Homo sapiens |
CHEMBL698359 |
single protein format |