molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4851044 |
|
IC50 |
= |
0.32 |
nM |
379.36 |
CN1CCC(=C(F)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1 |
Homo sapiens |
CHEMBL4830576 |
single protein format |
CHEMBL101690 |
OBDepict
CH
3
N
N
H
HN
O
F
|
Ki |
= |
1.6 |
nM |
351.43 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1 |
Homo sapiens |
CHEMBL616729 |
single protein format |
CHEMBL128636 |
OBDepict
H
3
C
N
N
H
HN
O
F
|
Ki |
= |
1.6 |
nM |
351.43 |
CN1CCC(c2c[nH]c3cccc(NC(=O)c4ccc(F)cc4)c23)CC1 |
Homo sapiens |
CHEMBL616726 |
single protein format |
CHEMBL361303 |
OBDepict
CH
3
N
N
HN
O
F
|
Ki |
= |
2.2 |
nM |
351.42 |
CN1CCC(n2ccc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL173949 |
OBDepict
CH
3
N
O
N
HN
O
F
F
F
|
Ki |
= |
2.3 |
nM |
389.38 |
CN1CCC(c2coc3ccc(NC(=O)c4c(F)cc(F)cc4F)nc23)CC1 |
Homo sapiens |
CHEMBL616729 |
single protein format |
CHEMBL323264 |
OBDepict
H
3
C
NH
N
H
O
N
N
H
N
H
3
C
|
Ki |
= |
2.5 |
nM |
287.37 |
CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL606556 |
OBDepict
CH
3
N
H
N
H
HN
S
O
O
Cl
|
Ki |
= |
2.7 |
nM |
403.94 |
CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12 |
Homo sapiens |
CHEMBL829046 |
cell-based format |
CHEMBL369705 |
OBDepict
H
3
C
N
O
N
NH
O
F
Cl
|
Ki |
= |
2.9 |
nM |
387.84 |
CN1CCC(c2coc3ccc(NC(=O)c4c(F)cccc4Cl)nc23)CC1 |
Homo sapiens |
CHEMBL616729 |
single protein format |
CHEMBL177238 |
OBDepict
CH
3
N
O
N
HN
O
Cl
F
|
Ki |
= |
3.0 |
nM |
387.84 |
CN1CCC(c2coc3ccc(NC(=O)c4ccc(F)cc4Cl)nc23)CC1 |
Homo sapiens |
CHEMBL616729 |
single protein format |
CHEMBL177258 |
OBDepict
CH
3
N
O
N
HN
O
F
|
Ki |
= |
3.1 |
nM |
353.4 |
CN1CCC(c2coc3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616729 |
single protein format |
CHEMBL187308 |
OBDepict
CH
3
N
N
O
HN
O
Cl
F
|
Ki |
= |
3.6 |
nM |
387.84 |
CN1CCC(c2noc3ccc(NC(=O)c4ccc(F)cc4Cl)cc23)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL102292 |
OBDepict
CH
3
N
H
N
H
O
N
N
H
N
H
3
C
|
Ki |
= |
3.8 |
nM |
301.39 |
CCNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL421287 |
OBDepict
H
3
C
N
CH
3
N
H
N
H
O
F
|
Ki |
= |
3.8 |
nM |
325.39 |
CN(C)CCc1c[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12 |
Homo sapiens |
CHEMBL616726 |
single protein format |
CHEMBL92139 |
OBDepict
H
3
C
N
CH
3
N
S
O
O
|
Ki |
= |
3.9 |
nM |
328.44 |
CN(C)CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1 |
Homo sapiens |
CHEMBL616724 |
cell-based format |
CHEMBL184597 |
OBDepict
CH
3
N
N
N
H
HN
O
F
|
Ki |
= |
3.9 |
nM |
352.41 |
CN1CCC(c2n[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL365405 |
OBDepict
CH
3
N
N
N
HN
O
F
|
Ki |
= |
4.1 |
nM |
352.41 |
CN1CCC(n2ncc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL104496 |
OBDepict
CH
3
N
N
N
H
HN
O
Cl
Cl
|
Ki |
= |
4.1 |
nM |
403.31 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(Cl)cc4Cl)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL102250 |
OBDepict
CH
3
N
N
N
H
HN
O
O
|
Ki |
= |
4.6 |
nM |
324.38 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccoc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL105556 |
OBDepict
H
3
C
N
N
N
H
O
S
O
O
CH
3
|
Ki |
= |
4.7 |
nM |
309.39 |
CN1CCC(c2c[nH]c3ccc(OS(C)(=O)=O)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL361061 |
OBDepict
CH
3
N
N
HN
O
F
|
Ki |
= |
4.8 |
nM |
353.44 |
CN1CCC(N2CCc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL431041 |
OBDepict
CH
3
N
N
N
H
N
H
O
H
3
C
|
Ki |
= |
5.0 |
nM |
272.35 |
CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL3617549 |
OBDepict
CH
3
N
O
N
H
O
F
|
Ki |
= |
5.1 |
nM |
340.4 |
CN1CCC(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3618901 |
single protein format |
CHEMBL105261 |
OBDepict
H
3
C
N
H
O
N
N
H
N
H
3
C
|
Ki |
= |
5.5 |
nM |
286.38 |
CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL449406 |
OBDepict
H
3
C
N
N
N
H
N
H
O
CH
3
|
Ki |
= |
5.8 |
nM |
348.45 |
Cc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL105722 |
OBDepict
H
3
C
N
N
N
H
NH
O
N
|
Ki |
= |
6.3 |
nM |
335.41 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccn4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL105955 |
OBDepict
CH
3
N
H
O
N
N
H
N
H
3
C
|
Ki |
= |
6.9 |
nM |
300.41 |
CCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL321080 |
OBDepict
CH
3
N
N
N
H
HN
O
S
|
Ki |
= |
7.1 |
nM |
340.45 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccs4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL104484 |
OBDepict
N
NH
O
N
N
H
N
CH
3
|
Ki |
= |
7.2 |
nM |
359.43 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(C#N)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL105743 |
OBDepict
H
3
C
N
N
N
H
NH
O
|
Ki |
= |
7.3 |
nM |
334.42 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL104753 |
OBDepict
CH
3
N
N
N
H
HN
O
S
|
Ki |
= |
7.4 |
nM |
340.45 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccsc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL319920 |
OBDepict
H
3
C
N
N
N
H
O
S
O
O
F
|
Ki |
= |
7.5 |
nM |
389.45 |
CN1CCC(c2c[nH]c3ccc(OS(=O)(=O)c4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL103479 |
OBDepict
CH
3
N
N
N
H
HN
O
F
|
Ki |
= |
7.6 |
nM |
352.41 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616729 |
single protein format |
CHEMBL104692 |
OBDepict
CH
3
N
N
N
H
NH
O
+
N
O
_
O
|
Ki |
= |
7.7 |
nM |
379.42 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL178066 |
OBDepict
CH
3
N
H
3
C
CH
3
N
H
N
H
O
F
|
Ki |
= |
8.2 |
nM |
339.41 |
Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(C)C |
Homo sapiens |
CHEMBL616729 |
single protein format |
CHEMBL339980 |
OBDepict
H
3
C
N
CH
3
CH
3
N
N
H
H
O
F
|
Ki |
= |
8.2 |
nM |
339.41 |
Cc1[nH]c2cccc(NC(=O)c3ccc(F)cc3)c2c1CCN(C)C |
Homo sapiens |
CHEMBL616728 |
single protein format |
CHEMBL3617550 |
OBDepict
CH
3
N
O
F
N
H
O
F
|
Ki |
= |
8.3 |
nM |
358.39 |
CN1CCC(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2F)CC1 |
Homo sapiens |
CHEMBL3618901 |
single protein format |
CHEMBL105958 |
OBDepict
H
3
C
N
N
N
H
NH
O
N
|
Ki |
= |
8.4 |
nM |
335.41 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccncc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL420475 |
OBDepict
H
3
C
N
N
N
H
HN
O
|
Ki |
= |
8.7 |
nM |
312.42 |
CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCC4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL187952 |
OBDepict
CH
3
N
N
H
HN
O
F
|
Ki |
= |
9.0 |
nM |
353.44 |
CN1CCC(C2CNc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL3617557 |
OBDepict
CH
3
N
O
N
N
H
O
F
|
Ki |
= |
9.5 |
nM |
341.39 |
CN1CCC(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)n2)CC1 |
Homo sapiens |
CHEMBL3618901 |
single protein format |
CHEMBL102335 |
OBDepict
F
NH
O
N
N
H
N
H
|
Ki |
= |
9.5 |
nM |
338.39 |
O=C(Nc1ccc2[nH]cc(C3CCNCC3)c2n1)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL103424 |
OBDepict
CH
3
N
N
H
N
H
O
H
3
C
|
Ki |
= |
9.7 |
nM |
271.36 |
CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL104720 |
OBDepict
CH
3
N
N
N
H
N
H
O
|
Ki |
= |
9.8 |
nM |
298.39 |
CN1CCC(c2c[nH]c3ccc(NC(=O)C4CC4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL105369 |
OBDepict
CH
3
N
N
N
H
N
H
HN
O
F
|
Ki |
= |
11.0 |
nM |
367.43 |
CN1CCC(c2c[nH]c3ccc(NC(=O)Nc4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL103550 |
OBDepict
CH
3
N
N
N
H
NH
O
F
|
Ki |
= |
11.0 |
nM |
352.41 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc(F)c4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL419547 |
OBDepict
N
HN
O
N
N
H
N
H
3
C
|
Ki |
= |
11.0 |
nM |
359.43 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc(C#N)c4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL321967 |
OBDepict
CH
3
N
N
N
H
HN
O
|
Ki |
= |
11.0 |
nM |
326.44 |
CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCCC4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL186662 |
OBDepict
CH
3
N
N
O
HN
O
F
F
|
Ki |
= |
12.0 |
nM |
371.39 |
CN1CCC(c2noc3ccc(NC(=O)c4ccc(F)cc4F)cc23)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL105025 |
OBDepict
H
3
C
N
N
N
H
N
H
O
CH
3
|
Ki |
= |
12.0 |
nM |
348.45 |
Cc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL420101 |
OBDepict
CH
3
N
N
N
H
N
H
O
H
3
C
|
Ki |
= |
12.0 |
nM |
348.45 |
Cc1ccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)cc1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL609742 |
OBDepict
Cl
S
HN
O
O
N
H
H
N
H
|
Ki |
= |
12.3 |
nM |
389.91 |
O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccccc1Cl |
Homo sapiens |
CHEMBL829046 |
cell-based format |
CHEMBL186951 |
OBDepict
CH
3
N
N
N
H
HN
O
Cl
F
|
Ki |
= |
13.0 |
nM |
388.87 |
CN1CCC(N2CNc3ccc(NC(=O)c4ccc(F)cc4Cl)cc32)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL105091 |
OBDepict
CH
3
N
N
N
H
HN
O
O
|
Ki |
= |
13.0 |
nM |
324.38 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccco4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL102344 |
OBDepict
CH
3
NH
O
N
N
H
N
H
3
C
|
Ki |
= |
13.0 |
nM |
328.46 |
CCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL103503 |
OBDepict
CH
3
N
N
H
N
HN
O
F
|
Ki |
= |
13.0 |
nM |
352.41 |
CN1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)cc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL369391 |
OBDepict
CH
3
N
H
3
C
CH
3
O
N
N
H
O
F
|
Ki |
= |
13.5 |
nM |
341.39 |
Cc1oc2ccc(NC(=O)c3ccc(F)cc3)nc2c1CCN(C)C |
Homo sapiens |
CHEMBL616729 |
single protein format |
CHEMBL105850 |
OBDepict
H
3
C
N
N
N
H
NH
O
F
|
Ki |
= |
14.0 |
nM |
394.49 |
CCCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL319857 |
OBDepict
H
3
C
N
H
O
N
N
H
N
H
3
C
|
Ki |
= |
14.0 |
nM |
314.43 |
CCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL606547 |
OBDepict
CH
3
N
H
N
H
N
H
S
O
O
Cl
|
Ki |
= |
16.0 |
nM |
403.94 |
CN1CCC[C@@H]1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12 |
Homo sapiens |
CHEMBL829046 |
cell-based format |
CHEMBL321133 |
OBDepict
H
3
C
O
HN
O
N
N
H
N
CH
3
|
Ki |
= |
16.0 |
nM |
364.45 |
COc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCN(C)CC4)c3n2)c1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL187581 |
OBDepict
CH
3
N
N
N
H
HN
O
F
F
F
|
Ki |
= |
17.0 |
nM |
390.41 |
CN1CCC(N2CNc3ccc(NC(=O)c4c(F)cc(F)cc4F)cc32)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL445651 |
OBDepict
CH
3
N
N
O
HN
O
F
|
Ki |
= |
17.0 |
nM |
353.4 |
CN1CCC(c2noc3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL2113386 |
OBDepict
I
S
HN
O
O
N
H
H
N
H
|
Ki |
= |
17.8 |
nM |
495.39 |
O=S(=O)(Cc1ccccc1I)Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1 |
Homo sapiens |
CHEMBL829046 |
cell-based format |
CHEMBL105478 |
OBDepict
CH
3
N
N
N
H
HN
O
F
|
Ki |
= |
18.0 |
nM |
380.47 |
CCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL105327 |
OBDepict
H
3
C
N
N
N
H
N
H
S
O
O
CH
3
|
Ki |
= |
19.0 |
nM |
308.41 |
CN1CCC(c2c[nH]c3ccc(NS(C)(=O)=O)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL104384 |
OBDepict
H
3
C
N
N
N
H
NH
O
F
|
Ki |
= |
19.0 |
nM |
352.41 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4F)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL321343 |
OBDepict
CH
3
N
N
N
H
N
H
O
+
N
O
_
O
|
Ki |
= |
19.0 |
nM |
379.42 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL101686 |
OBDepict
CH
3
NH
O
N
N
H
N
H
3
C
|
Ki |
= |
20.0 |
nM |
356.51 |
CCCCCCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL418806 |
OBDepict
H
3
C
N
N
N
H
NH
O
|
Ki |
= |
20.0 |
nM |
340.47 |
CN1CCC(c2c[nH]c3ccc(NC(=O)C4CCCCC4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL321562 |
OBDepict
CH
3
O
NH
O
N
N
H
N
H
3
C
|
Ki |
= |
20.0 |
nM |
364.45 |
COc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL103058 |
OBDepict
CH
3
N
N
N
H
HN
O
H
3
C
|
Ki |
= |
21.0 |
nM |
284.36 |
CCN1CC=C(c2c[nH]c3ccc(NC(C)=O)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL104374 |
OBDepict
CH
3
O
N
N
H
N
H
3
C
|
Ki |
= |
23.0 |
nM |
245.33 |
COc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL316979 |
OBDepict
CH
3
N
N
N
H
HN
O
F
|
Ki |
= |
25.0 |
nM |
364.42 |
CCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL128 |
OBDepict
CH
3
HN
S
O
O
N
H
N
CH
3
H
3
C
|
Ki |
= |
25.7 |
nM |
295.41 |
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 |
Homo sapiens |
CHEMBL616727 |
single protein format |
CHEMBL104968 |
OBDepict
H
3
C
N
N
N
H
HN
S
O
O
F
|
Ki |
= |
27.0 |
nM |
388.47 |
CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL263700 |
OBDepict
CH
3
N
CH
3
N
O
HO
|
Ki |
= |
29.0 |
nM |
308.38 |
CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12 |
Homo sapiens |
CHEMBL616725 |
single protein format |
CHEMBL105240 |
OBDepict
H
3
C
N
H
3
C
N
N
H
NH
O
F
|
Ki |
= |
30.0 |
nM |
380.47 |
CC(C)N1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL104946 |
OBDepict
CH
3
N
H
O
N
N
H
HN
|
Ki |
= |
35.0 |
nM |
272.35 |
CCC(=O)Nc1ccc2[nH]cc(C3CCNCC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL3617552 |
OBDepict
CH
3
N
O
N
H
F
O
F
|
Ki |
= |
41.0 |
nM |
358.39 |
CN1CCC(C(=O)c2cc(F)cc(NC(=O)c3ccc(F)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3618901 |
single protein format |
CHEMBL105118 |
OBDepict
CH
3
N
N
N
H
NH
O
+
N
O
_
O
|
Ki |
= |
42.0 |
nM |
379.42 |
CN1CCC(c2c[nH]c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL322018 |
OBDepict
CH
3
N
H
O
N
N
H
HN
|
Ki |
= |
45.0 |
nM |
258.32 |
CC(=O)Nc1ccc2[nH]cc(C3CCNCC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL125745 |
OBDepict
H
2
N
N
S
O
O
|
Ki |
= |
47.0 |
nM |
300.38 |
NCCc1cccc2c1ccn2S(=O)(=O)c1ccccc1 |
Homo sapiens |
CHEMBL616724 |
cell-based format |
CHEMBL321578 |
OBDepict
CH
3
N
N
N
H
HN
O
CH
3
CH
3
CH
3
|
Ki |
= |
62.0 |
nM |
314.43 |
CN1CCC(c2c[nH]c3ccc(NC(=O)C(C)(C)C)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL320198 |
OBDepict
CH
3
N
N
N
H
N
HN
O
F
|
Ki |
= |
67.0 |
nM |
353.4 |
CN1CCC(c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL102182 |
OBDepict
F
NH
O
N
N
H
N
|
Ki |
= |
75.0 |
nM |
442.54 |
O=C(Nc1ccc2[nH]cc(C3CCN(CCc4ccccc4)CC3)c2n1)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL3139682 |
OBDepict
Cl
N
H
N
NH
2
|
Ki |
< |
100.0 |
nM |
325.84 |
Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1 |
Homo sapiens |
CHEMBL4041191 |
single protein format |
CHEMBL318105 |
OBDepict
CH
3
N
N
N
H
H
2
N
|
Ki |
= |
100.0 |
nM |
230.31 |
CN1CCC(c2c[nH]c3ccc(N)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL318110 |
OBDepict
CH
3
N
N
N
H
HO
|
Ki |
= |
100.0 |
nM |
231.3 |
CN1CCC(c2c[nH]c3ccc(O)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL104953 |
OBDepict
H
3
C
N
N
N
H
NH
O
F
|
Ki |
= |
170.0 |
nM |
366.44 |
CCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL104026 |
OBDepict
H
3
C
N
N
H
N
N
H
O
CH
3
|
Ki |
= |
210.0 |
nM |
272.35 |
CC(=O)Nc1cc2c(C3CCN(C)CC3)c[nH]c2cn1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL104158 |
OBDepict
CH
3
N
N
N
H
N
N
H
O
H
3
C
|
Ki |
= |
220.0 |
nM |
273.34 |
CC(=O)Nc1ncc2[nH]cc(C3CCN(C)CC3)c2n1 |
Homo sapiens |
CHEMBL616730 |
assay format |
CHEMBL184994 |
OBDepict
CH
3
N
N
O
N
H
O
F
|
Ki |
= |
520.0 |
nM |
369.44 |
CN1CCC(N2CCOc3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 |
Homo sapiens |
CHEMBL827882 |
single protein format |
CHEMBL3617553 |
OBDepict
CH
3
N
O
N
H
F
O
F
|
Ki |
= |
530.0 |
nM |
358.39 |
CN1CCC(C(=O)c2ccc(F)c(NC(=O)c3ccc(F)cc3)c2)CC1 |
Homo sapiens |
CHEMBL3618901 |
single protein format |
CHEMBL126340 |
OBDepict
H
3
C
N
H
3
C
N
S
O
O
O
|
Ki |
= |
570.0 |
nM |
432.55 |
CN(C)CCc1cccc2c1cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1 |
Homo sapiens |
CHEMBL616724 |
cell-based format |
CHEMBL3616488 |
OBDepict
CH
3
O
HN
O
O
N
H
3
C
F
|
Ki |
= |
610.0 |
nM |
370.42 |
COc1c(NC(=O)c2ccc(F)cc2)cccc1C(=O)C1CCN(C)CC1 |
Homo sapiens |
CHEMBL3618901 |
single protein format |
CHEMBL93868 |
OBDepict
CH
3
N
H
3
C
N
S
O
O
|
Ki |
= |
770.0 |
nM |
328.44 |
CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 |
Homo sapiens |
CHEMBL616724 |
cell-based format |
CHEMBL3617555 |
OBDepict
H
3
C
N
O
CH
3
N
H
O
F
|
Ki |
= |
870.0 |
nM |
354.43 |
Cc1c(NC(=O)c2ccc(F)cc2)cccc1C(=O)C1CCN(C)CC1 |
Homo sapiens |
CHEMBL3618901 |
single protein format |