molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL161180 |
|
Ki |
= |
0.6 |
nM |
363.17 |
N=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL158737 |
OBDepict
CH
3
O
N
NH
2
|
Ki |
= |
0.7 |
nM |
266.34 |
COc1ccccc1C/N=C(N)/C=C/c1ccccc1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL159744 |
OBDepict
CH
3
CH
3
N
NH
2
O
F
F
F
|
Ki |
= |
1.2 |
nM |
322.33 |
Cc1cc(C)cc(C/N=C(N)c2ccc(OC(F)(F)F)cc2)c1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL3735947 |
OBDepict
_
O
+
N
O
N
H
|
Ki |
= |
1.6 |
nM |
324.42 |
O=[N+]([O-])c1ccc2c(c1)CCC(NCCCc1ccccc1)CC2 |
Homo sapiens |
CHEMBL3737377 |
cell-based format |
CHEMBL429656 |
OBDepict
CH
3
CH
3
N
HN
O
F
F
F
|
Ki |
= |
2.0 |
nM |
334.34 |
Cc1cc(C)cc(CN2Cc3cc(OC(F)(F)F)ccc3C2=N)c1 |
Homo sapiens |
CHEMBL887786 |
single protein format |
CHEMBL4637295 |
OBDepict
Cl
N
H
|
Ki |
= |
2.1 |
nM |
313.87 |
Clc1ccc2c(c1)CCC(NCCCc1ccccc1)CC2 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL393670 |
OBDepict
HN
N
O
O
F
F
F
|
Ki |
= |
2.2 |
nM |
346.31 |
N=C1c2ccc(OC(F)(F)F)cc2CN1Cc1cccc2ccoc12 |
Homo sapiens |
CHEMBL887786 |
single protein format |
CHEMBL3357791 |
OBDepict
H
N
H
H
|
Ki |
= |
2.3 |
nM |
319.49 |
c1ccc([C@H]2CC[C@@H](NC3CCc4ccccc4CC3)CC2)cc1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL3357790 |
OBDepict
N
|
Ki |
= |
2.9 |
nM |
319.49 |
c1ccc(CC2CCN(C3CCc4ccccc4CC3)CC2)cc1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL4758763 |
OBDepict
N
|
Ki |
= |
3.2 |
nM |
291.44 |
c1ccc(CC2CCN(C3Cc4ccccc4C3)CC2)cc1 |
Homo sapiens |
CHEMBL4685218 |
cell membrane format |
CHEMBL3735485 |
OBDepict
_
O
+
N
O
N
H
|
Ki |
= |
3.3 |
nM |
310.4 |
O=[N+]([O-])c1ccc2c(c1)CCC(NCCc1ccccc1)CC2 |
Homo sapiens |
CHEMBL3737377 |
cell-based format |
CHEMBL218713 |
OBDepict
H
3
C
O
N
O
HN
N
N
|
Ki |
= |
3.4 |
nM |
340.43 |
Cc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 |
Homo sapiens |
CHEMBL856830 |
cell-based format |
CHEMBL247323 |
OBDepict
CH
3
O
N
NH
O
F
F
F
|
Ki |
= |
3.6 |
nM |
336.31 |
COc1ccccc1CN1Cc2cc(OC(F)(F)F)ccc2C1=N |
Homo sapiens |
CHEMBL887786 |
single protein format |
CHEMBL218211 |
OBDepict
CH
3
O
N
O
HN
N
N
|
Ki |
= |
3.7 |
nM |
354.45 |
CCc1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 |
Homo sapiens |
CHEMBL856830 |
cell-based format |
CHEMBL3736502 |
OBDepict
_
O
+
N
O
N
H
|
Ki |
= |
3.8 |
nM |
338.45 |
O=[N+]([O-])c1ccc2c(c1)CCC(NCCCCc1ccccc1)CC2 |
Homo sapiens |
CHEMBL3737377 |
cell-based format |
CHEMBL162080 |
OBDepict
NH
2
N
F
F
F
CH
3
CH
3
|
Ki |
= |
3.9 |
nM |
306.33 |
Cc1cc(C)cc(C/N=C(N)c2ccc(C(F)(F)F)cc2)c1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL159560 |
OBDepict
CH
3
O
N
NH
2
O
F
F
F
|
IC50 |
= |
4.1 |
nM |
324.3 |
COc1ccccc1C/N=C(N)c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749390 |
single protein format |
CHEMBL159744 |
OBDepict
CH
3
CH
3
N
NH
2
O
F
F
F
|
IC50 |
= |
4.2 |
nM |
322.33 |
Cc1cc(C)cc(C/N=C(N)c2ccc(OC(F)(F)F)cc2)c1 |
Homo sapiens |
CHEMBL749390 |
single protein format |
CHEMBL4111330 |
OBDepict
HO
N
H
O
N
F
|
IC50 |
= |
4.2 |
nM |
368.45 |
O=C1[C@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL4149864 |
cell-based format |
CHEMBL4745685 |
OBDepict
N
|
Ki |
= |
4.5 |
nM |
277.41 |
c1ccc(C2CCN(C3Cc4ccccc4C3)CC2)cc1 |
Homo sapiens |
CHEMBL4685218 |
cell membrane format |
CHEMBL1289403 |
OBDepict
H
3
C
O
HO
N
|
Ki |
= |
5.4 |
nM |
325.45 |
COc1ccc2c(c1)CCN(CCCCc1ccccc1)CC2O |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL3357792 |
OBDepict
H
N
H
H
|
Ki |
= |
5.7 |
nM |
319.49 |
c1ccc([C@H]2CC[C@H](NC3CCc4ccccc4CC3)CC2)cc1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL159560 |
OBDepict
CH
3
O
N
NH
2
O
F
F
F
|
Ki |
= |
5.7 |
nM |
324.3 |
COc1ccccc1C/N=C(N)c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL493054 |
OBDepict
OH
HO
H
N
CH
3
H
|
Ki |
= |
5.8 |
nM |
325.45 |
C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |
Homo sapiens |
CHEMBL4713189 |
cell membrane format |
CHEMBL4634358 |
OBDepict
N
H
S
|
Ki |
= |
5.9 |
nM |
285.46 |
c1ccc(CCCNC2CCc3ccsc3CC2)cc1 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL4645707 |
OBDepict
CH
3
N
S
|
Ki |
= |
6.0 |
nM |
299.48 |
CN(CCCc1ccccc1)C1CCc2ccsc2CC1 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL3892956 |
OBDepict
CH
3
N
O
H
N
H
F
H
HO
|
Ki |
= |
6.3 |
nM |
382.48 |
Cc1ccc(CN2CC[C@@H](N3CC[C@@H](c4ccc(O)cc4)[C@H](F)C3)C2=O)cc1 |
Homo sapiens |
CHEMBL4149901 |
assay format |
CHEMBL3357788 |
OBDepict
N
|
Ki |
= |
6.9 |
nM |
305.46 |
c1ccc(C2CCN(C3CCc4ccccc4CC3)CC2)cc1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL3735173 |
OBDepict
_
O
+
N
O
N
H
|
Ki |
= |
7.6 |
nM |
296.37 |
O=[N+]([O-])c1ccc2c(c1)CCC(NCc1ccccc1)CC2 |
Homo sapiens |
CHEMBL3737377 |
cell-based format |
CHEMBL386184 |
OBDepict
CH
3
CH
3
O
N
O
HN
N
N
|
Ki |
= |
7.8 |
nM |
368.48 |
CC(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 |
Homo sapiens |
CHEMBL856830 |
cell-based format |
CHEMBL247718 |
OBDepict
Cl
N
NH
O
F
F
F
|
Ki |
= |
8.0 |
nM |
340.73 |
N=C1c2ccc(OC(F)(F)F)cc2CN1Cc1cccc(Cl)c1 |
Homo sapiens |
CHEMBL887786 |
single protein format |
CHEMBL4740593 |
OBDepict
N
|
Ki |
= |
8.0 |
nM |
305.46 |
c1ccc(CC2CCN(C3CCc4ccccc4C3)CC2)cc1 |
Homo sapiens |
CHEMBL4685218 |
cell membrane format |
CHEMBL4746028 |
OBDepict
N
|
Ki |
= |
8.4 |
nM |
291.44 |
c1ccc(C2CCN(C3CCc4ccccc4C3)CC2)cc1 |
Homo sapiens |
CHEMBL4685218 |
cell membrane format |
CHEMBL162080 |
OBDepict
NH
2
N
F
F
F
CH
3
CH
3
|
IC50 |
= |
8.7 |
nM |
306.33 |
Cc1cc(C)cc(C/N=C(N)c2ccc(C(F)(F)F)cc2)c1 |
Homo sapiens |
CHEMBL749390 |
single protein format |
CHEMBL4648500 |
OBDepict
H
3
C
N
S
|
Ki |
= |
9.0 |
nM |
313.51 |
CN(CCCCc1ccccc1)C1CCc2ccsc2CC1 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL158874 |
OBDepict
NH
N
H
|
Ki |
= |
9.0 |
nM |
236.32 |
N=C(/C=C/c1ccccc1)NCc1ccccc1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL305195 |
OBDepict
HO
HO
H
CH
3
H
N
|
IC50 |
= |
9.0 |
nM |
339.48 |
C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL4309004 |
cell-based format |
CHEMBL349727 |
OBDepict
CH
3
O
N
NH
2
O
F
F
F
|
IC50 |
= |
9.7 |
nM |
324.3 |
COc1cccc(C/N=C(N)c2ccc(OC(F)(F)F)cc2)c1 |
Homo sapiens |
CHEMBL749390 |
single protein format |
CHEMBL3357784 |
OBDepict
H
3
C
O
N
H
|
Ki |
= |
10.0 |
nM |
309.45 |
COc1ccc2c(c1)CCC(NCCCc1ccccc1)CC2 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL319706 |
OBDepict
OH
HO
H
N
CH
3
H
|
Ki |
= |
10.0 |
nM |
325.45 |
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |
Homo sapiens |
CHEMBL3737377 |
cell-based format |
CHEMBL305187 |
OBDepict
OH
OH
N
CH
3
|
Ki |
= |
10.0 |
nM |
325.45 |
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL113830 |
OBDepict
OH
HO
H
N
CH
3
H
|
Ki |
= |
10.0 |
nM |
325.45 |
C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |
Homo sapiens |
CHEMBL4349901 |
cell-based format |
CHEMBL219060 |
OBDepict
O
N
O
HN
N
|
Ki |
= |
10.6 |
nM |
325.41 |
O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1 |
Homo sapiens |
CHEMBL856830 |
cell-based format |
CHEMBL4646690 |
OBDepict
HN
S
|
Ki |
= |
11.0 |
nM |
299.48 |
c1ccc(CCCCNC2CCc3ccsc3CC2)cc1 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL161876 |
OBDepict
NH
N
H
Cl
Cl
O
F
F
F
|
Ki |
= |
12.0 |
nM |
363.17 |
N=C(NCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL3357789 |
OBDepict
N
N
|
Ki |
= |
12.0 |
nM |
306.45 |
c1ccc(N2CCN(C3CCc4ccccc4CC3)CC2)cc1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL3545350 |
OBDepict
F
F
F
N
N
N
CH
3
N
|
IC50 |
= |
12.0 |
nM |
318.3 |
Cc1nccn1Cc1cc(-c2ccc(F)c(C(F)F)c2)cnn1 |
Homo sapiens |
CHEMBL4309004 |
cell-based format |
CHEMBL4287203 |
OBDepict
CH
3
O
H
OH
H
N
H
|
IC50 |
= |
12.0 |
nM |
325.45 |
COc1ccc2c(c1)CC[C@H](NCCCc1ccccc1)C[C@@H]2O |
Homo sapiens |
CHEMBL4261996 |
cell-based format |
CHEMBL4632765 |
OBDepict
Br
S
HN
|
Ki |
= |
13.0 |
nM |
364.35 |
Brc1cc2c(s1)CCC(NCCCc1ccccc1)CC2 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL28564 |
OBDepict
F
N
HO
Cl
|
Ki |
= |
13.0 |
nM |
347.86 |
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL220660 |
OBDepict
O
N
O
HN
N
N
|
Ki |
= |
14.0 |
nM |
326.4 |
O=C(OCc1ccccc1)N1CCC(CNc2cnccn2)CC1 |
Homo sapiens |
CHEMBL856830 |
cell-based format |
CHEMBL49623 |
OBDepict
OH
HO
H
N
CH
3
H
|
Ki |
= |
14.4 |
nM |
325.45 |
C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |
Homo sapiens |
CHEMBL4713189 |
cell membrane format |
CHEMBL4287203 |
OBDepict
CH
3
O
H
OH
H
N
H
|
Ki |
= |
16.0 |
nM |
325.45 |
COc1ccc2c(c1)CC[C@H](NCCCc1ccccc1)C[C@@H]2O |
Homo sapiens |
CHEMBL4261991 |
cell-based format |
CHEMBL4294561 |
OBDepict
CH
3
O
H
OH
H
N
H
|
Ki |
= |
16.0 |
nM |
325.45 |
COc1ccc2c(c1)CC[C@@H](NCCCc1ccccc1)C[C@H]2O |
Homo sapiens |
CHEMBL4254520 |
cell-based format |
CHEMBL159818 |
OBDepict
Cl
HN
NH
Cl
Cl
|
Ki |
= |
16.0 |
nM |
313.62 |
N=C(NCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL296601 |
OBDepict
N
H
|
Ki |
= |
16.0 |
nM |
279.43 |
c1ccc(CCCNC2CCc3ccccc3CC2)cc1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL3357783 |
OBDepict
H
3
C
O
HO
N
H
|
Ki |
= |
16.0 |
nM |
325.45 |
COc1ccc2c(c1)CCC(NCCCc1ccccc1)CC2O |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL4283845 |
OBDepict
F
N
H
|
Ki |
= |
17.0 |
nM |
297.42 |
FC(CNC1CCc2ccccc2CC1)Cc1ccccc1 |
Homo sapiens |
CHEMBL4261991 |
cell-based format |
CHEMBL3357787 |
OBDepict
N
H
|
Ki |
= |
17.0 |
nM |
293.45 |
c1ccc(CCCCNC2CCc3ccccc3CC2)cc1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL218275 |
OBDepict
F
O
N
O
NH
N
N
|
Ki |
= |
18.0 |
nM |
344.39 |
O=C(OCc1ccc(F)cc1)N1CCC(CNc2ncccn2)CC1 |
Homo sapiens |
CHEMBL856830 |
cell-based format |
CHEMBL221605 |
OBDepict
O
N
O
F
N
H
N
N
|
Ki |
= |
18.0 |
nM |
344.39 |
O=C(OCc1ccccc1F)N1CCC(CNc2ncccn2)CC1 |
Homo sapiens |
CHEMBL856830 |
cell-based format |
CHEMBL159558 |
OBDepict
Cl
HN
NH
F
F
F
|
Ki |
= |
20.0 |
nM |
312.72 |
N=C(NCc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL3357786 |
OBDepict
N
H
|
Ki |
= |
20.0 |
nM |
265.4 |
c1ccc(CCNC2CCc3ccccc3CC2)cc1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL305187 |
OBDepict
OH
OH
N
CH
3
|
IC50 |
= |
20.0 |
nM |
325.45 |
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |
Homo sapiens |
CHEMBL3108300 |
single protein format |
CHEMBL4284348 |
OBDepict
OH
N
H
|
Ki |
= |
21.0 |
nM |
309.45 |
Oc1ccc2c(c1)CCC(NCCCCc1ccccc1)CC2 |
Homo sapiens |
CHEMBL4254520 |
cell-based format |
CHEMBL435316 |
OBDepict
O
N
O
HN
N
N
|
Ki |
= |
23.0 |
nM |
326.4 |
O=C(OCc1ccccc1)N1CCC(CNc2ncccn2)CC1 |
Homo sapiens |
CHEMBL856830 |
cell-based format |
CHEMBL221133 |
OBDepict
O
N
O
N
H
N
N
|
Ki |
= |
23.0 |
nM |
352.44 |
O=C(OC1Cc2ccccc2C1)N1CCC(CNc2ncccn2)CC1 |
Homo sapiens |
CHEMBL856830 |
cell-based format |
CHEMBL349727 |
OBDepict
CH
3
O
N
NH
2
O
F
F
F
|
Ki |
= |
23.0 |
nM |
324.3 |
COc1cccc(C/N=C(N)c2ccc(OC(F)(F)F)cc2)c1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL4645300 |
OBDepict
Br
S
N
H
|
Ki |
= |
23.0 |
nM |
378.38 |
Brc1cc2c(s1)CCC(NCCCCc1ccccc1)CC2 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL3892956 |
OBDepict
CH
3
N
O
H
N
H
F
H
HO
|
IC50 |
= |
24.0 |
nM |
382.48 |
Cc1ccc(CN2CC[C@@H](N3CC[C@@H](c4ccc(O)cc4)[C@H](F)C3)C2=O)cc1 |
Homo sapiens |
CHEMBL4149864 |
cell-based format |
CHEMBL161180 |
OBDepict
Cl
Cl
HN
NH
O
F
F
F
|
IC50 |
= |
24.0 |
nM |
363.17 |
N=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749390 |
single protein format |
CHEMBL4574247 |
OBDepict
N
H
S
|
Ki |
= |
26.0 |
nM |
257.4 |
c1ccc(CNC2CCc3ccsc3CC2)cc1 |
Homo sapiens |
CHEMBL4480642 |
cell-based format |
CHEMBL4288292 |
OBDepict
F
N
H
|
Ki |
= |
27.0 |
nM |
311.44 |
FC(CCc1ccccc1)CNC1CCc2ccccc2CC1 |
Homo sapiens |
CHEMBL4261991 |
cell-based format |
CHEMBL4286654 |
OBDepict
OH
N
H
|
Ki |
= |
28.0 |
nM |
295.43 |
Oc1ccc2c(c1)CCC(NCCCc1ccccc1)CC2 |
Homo sapiens |
CHEMBL4254520 |
cell-based format |
CHEMBL219631 |
OBDepict
F
N
+
S
_
O
O
N
H
O
|
Ki |
= |
30.0 |
nM |
402.49 |
O=c1[nH]c2ccc([S+]([O-])CCN3CCC(Cc4ccc(F)cc4)CC3)cc2o1 |
Homo sapiens |
CHEMBL3804511 |
single protein format |
CHEMBL4170858 |
OBDepict
F
H
O
N
N
|
Ki |
= |
31.0 |
nM |
414.61 |
FCC[C@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1 |
Homo sapiens |
CHEMBL4158754 |
cell-based format |
CHEMBL159558 |
OBDepict
Cl
HN
NH
F
F
F
|
IC50 |
= |
32.0 |
nM |
312.72 |
N=C(NCc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749390 |
single protein format |
CHEMBL4778291 |
OBDepict
N
|
Ki |
= |
32.0 |
nM |
293.45 |
c1ccc(CCCCN2CCCc3ccccc3CC2)cc1 |
Homo sapiens |
CHEMBL4685218 |
cell membrane format |
CHEMBL4646841 |
OBDepict
N
H
S
|
Ki |
= |
33.0 |
nM |
271.43 |
c1ccc(CCNC2CCc3ccsc3CC2)cc1 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL4641623 |
OBDepict
H
3
C
N
S
|
Ki |
= |
33.0 |
nM |
327.54 |
CCN(CCCCc1ccccc1)C1CCc2ccsc2CC1 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL4169479 |
OBDepict
H
OH
O
N
N
|
Ki |
= |
34.0 |
nM |
384.56 |
O[C@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1 |
Homo sapiens |
CHEMBL4158754 |
cell-based format |
CHEMBL4754021 |
OBDepict
N
|
Ki |
= |
36.0 |
nM |
279.43 |
c1ccc(CCCN2CCCc3ccccc3CC2)cc1 |
Homo sapiens |
CHEMBL4685218 |
cell membrane format |
CHEMBL218017 |
OBDepict
O
N
O
HN
N
|
Ki |
= |
37.0 |
nM |
325.41 |
O=C(OCc1ccccc1)N1CCC(CNc2ccccn2)CC1 |
Homo sapiens |
CHEMBL856830 |
cell-based format |
CHEMBL161421 |
OBDepict
NH
N
H
O
F
F
F
|
IC50 |
= |
46.0 |
nM |
294.28 |
N=C(NCc1ccccc1)c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749390 |
single protein format |
CHEMBL159279 |
OBDepict
NH
N
H
O
F
F
F
F
F
F
|
IC50 |
= |
47.0 |
nM |
362.27 |
N=C(NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749390 |
single protein format |
CHEMBL421976 |
OBDepict
NH
N
H
Cl
F
F
F
|
IC50 |
= |
48.0 |
nM |
312.72 |
N=C(NCc1ccccc1Cl)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749390 |
single protein format |
CHEMBL4590193 |
OBDepict
CH
3
O
H
OH
H
N
H
|
Ki |
= |
48.0 |
nM |
325.45 |
COc1ccc2c(c1)CC[C@H](NCCCc1ccccc1)C[C@H]2O |
Homo sapiens |
CHEMBL4480642 |
cell-based format |
CHEMBL4648377 |
OBDepict
CH
3
N
S
|
Ki |
= |
51.0 |
nM |
313.51 |
CCN(CCCc1ccccc1)C1CCc2ccsc2CC1 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL4159233 |
OBDepict
CH
3
O
O
H
O
N
N
|
Ki |
= |
54.0 |
nM |
454.66 |
CCOC(=O)C[C@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1 |
Homo sapiens |
CHEMBL4158754 |
cell-based format |
CHEMBL421976 |
OBDepict
NH
N
H
Cl
F
F
F
|
Ki |
= |
56.0 |
nM |
312.72 |
N=C(NCc1ccccc1Cl)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL161876 |
OBDepict
NH
N
H
Cl
Cl
O
F
F
F
|
IC50 |
= |
57.0 |
nM |
363.17 |
N=C(NCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL749390 |
single protein format |
CHEMBL3357785 |
OBDepict
N
H
|
Ki |
= |
57.0 |
nM |
251.37 |
c1ccc(CNC2CCc3ccccc3CC2)cc1 |
Homo sapiens |
CHEMBL3390297 |
cell-based format |
CHEMBL4643805 |
OBDepict
CH
3
H
3
C
N
N
O
O
|
Ki |
= |
59.0 |
nM |
362.47 |
Cc1ccc(CN2CCCN(C(=O)c3cc4ccccc4o3)CC2)c(C)c1 |
Homo sapiens |
CHEMBL4615566 |
cell-based format |
CHEMBL4649725 |
OBDepict
OH
S
N
H
|
Ki |
= |
60.0 |
nM |
377.55 |
Oc1ccc(-c2cc3c(s2)CCC(NCCCc2ccccc2)CC3)cc1 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL4647186 |
OBDepict
H
3
C
N
S
|
Ki |
= |
61.0 |
nM |
285.46 |
CCN(Cc1ccccc1)C1CCc2ccsc2CC1 |
Homo sapiens |
CHEMBL4610803 |
cell-based format |
CHEMBL161871 |
OBDepict
Cl
N
H
NH
Cl
|
Ki |
= |
63.0 |
nM |
279.17 |
N=C(NCc1cccc(Cl)c1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |
CHEMBL4170683 |
OBDepict
F
H
O
N
N
|
Ki |
= |
65.0 |
nM |
414.61 |
FCC[C@@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1 |
Homo sapiens |
CHEMBL4158754 |
cell-based format |
CHEMBL429475 |
OBDepict
Cl
NH
N
Cl
O
F
F
F
|
Ki |
= |
66.0 |
nM |
375.18 |
FC(F)(F)Oc1ccc(C2=NCC(c3cccc(Cl)c3)N2)cc1Cl |
Homo sapiens |
CHEMBL887786 |
single protein format |
CHEMBL4800530 |
OBDepict
NH
|
Ki |
= |
66.0 |
nM |
265.4 |
c1ccc(CCCCNC2Cc3ccccc3C2)cc1 |
Homo sapiens |
CHEMBL4685218 |
cell membrane format |
CHEMBL159279 |
OBDepict
NH
N
H
O
F
F
F
F
F
F
|
Ki |
= |
72.0 |
nM |
362.27 |
N=C(NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |
Homo sapiens |
CHEMBL749675 |
cell-based format |