molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3134130 |
|
IC50 |
= |
37.0 |
nM |
361.96 |
Clc1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCCC1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426365 |
OBDepict
O
N
NH
N
N
O
N
|
IC50 |
= |
39.0 |
nM |
543.76 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(NCc2ccccc2)c1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426366 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
48.0 |
nM |
528.74 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Cc2ccccc2)c1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134144 |
OBDepict
N
N
N
|
IC50 |
= |
48.0 |
nM |
313.49 |
c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCC1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426367 |
OBDepict
O
N
O
N
N
O
N
|
IC50 |
= |
58.0 |
nM |
530.71 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Oc2ccccc2)c1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134146 |
OBDepict
HO
HO
N
N
N
|
IC50 |
= |
59.0 |
nM |
373.54 |
OCC1(CO)CN(CCc2ccc(N3CCC(N4CCCC4)CC3)cc2)C1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL3134131 |
OBDepict
N
N
N
|
IC50 |
= |
62.0 |
nM |
327.52 |
c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCCC1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426364 |
OBDepict
O
N
HN
N
N
O
N
|
IC50 |
= |
64.0 |
nM |
529.73 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426368 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
66.0 |
nM |
514.71 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(-c2ccccc2)c1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134134 |
OBDepict
N
N
N
|
IC50 |
= |
70.0 |
nM |
341.54 |
c1cc(N2CCC(N3CCCC3)CC2)ccc1CCCN1CCCC1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426498 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
71.0 |
nM |
438.62 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426360 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
72.0 |
nM |
488.68 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c2ccccc12)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134126 |
OBDepict
N
N
N
|
IC50 |
= |
80.0 |
nM |
341.54 |
c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCCCC1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426363 |
OBDepict
O
N
S
N
O
N
N
|
IC50 |
= |
96.0 |
nM |
444.65 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)s1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426496 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
96.0 |
nM |
452.64 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426481 |
OBDepict
O
N
S
N
N
O
O
N
|
IC50 |
= |
99.0 |
nM |
474.67 |
O=C(c1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134125 |
OBDepict
N
N
N
|
IC50 |
= |
100.0 |
nM |
355.57 |
c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCCCCC1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2424678 |
OBDepict
O
N
N
N
N
O
N
|
IC50 |
= |
110.0 |
nM |
439.6 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)nc1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426469 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
110.0 |
nM |
466.67 |
O=C(c1ccc(C(=O)N2CCCC(N3CCCC3)CC2)cc1)N1CCCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134136 |
OBDepict
N
N
N
|
IC50 |
= |
120.0 |
nM |
313.49 |
c1cc(CN2CCCC2)cc(N2CCC(N3CCCC3)CC2)c1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL3134135 |
OBDepict
N
N
N
|
IC50 |
= |
120.0 |
nM |
327.52 |
c1cc(CCN2CCCC2)cc(N2CCC(N3CCCC3)CC2)c1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426476 |
OBDepict
O
N
Br
N
N
O
N
|
IC50 |
= |
120.0 |
nM |
517.51 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Br)c1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426490 |
OBDepict
O
N
N
O
N
H
N
|
IC50 |
= |
120.0 |
nM |
438.62 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCCN2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2424677 |
OBDepict
CH
3
N
N
H
O
HN
N
O
NH
|
IC50 |
= |
130.0 |
nM |
537.71 |
CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(C5CCCN5)CC4)c(Nc4ccccc4)c3)cc2C1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426489 |
OBDepict
O
N
N
N
O
+
N
H
3
C
|
IC50 |
= |
140.0 |
nM |
453.65 |
C[N+]1(C2CCN(C(=O)c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)CC2)CCCC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426483 |
OBDepict
O
N
N
N
N
|
IC50 |
= |
140.0 |
nM |
424.63 |
O=C(c1ccc(CN2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426495 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
160.0 |
nM |
464.65 |
O=C(c1ccc(C(=O)N2CC3CCC(C2)C3N2CCCC2)cc1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426477 |
OBDepict
_
O
+
N
O
N
O
N
O
N
N
|
IC50 |
= |
160.0 |
nM |
483.61 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c([N+](=O)[O-])c1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426376 |
OBDepict
H
3
C
N
NH
O
HN
N
O
HN
|
IC50 |
= |
170.0 |
nM |
537.71 |
CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(C5CCCN5)CC4)cc3Nc3ccccc3)cc2C1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426375 |
OBDepict
H
3
C
N
NH
O
N
O
HN
|
IC50 |
= |
170.0 |
nM |
446.6 |
CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(C5CCCN5)CC4)cc3)cc2C1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426482 |
OBDepict
O
N
N
N
N
|
IC50 |
= |
170.0 |
nM |
410.61 |
O=C(c1ccc(N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426359 |
OBDepict
O
N
CH
3
CH
3
N
N
O
N
|
IC50 |
= |
210.0 |
nM |
466.67 |
Cc1cc(C(=O)N2CCC(N3CCCC3)CC2)c(C)cc1C(=O)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426358 |
OBDepict
O
N
F
F
F
F
N
N
O
N
|
IC50 |
= |
210.0 |
nM |
510.58 |
O=C(c1c(F)c(F)c(C(=O)N2CCC(N3CCCC3)CC2)c(F)c1F)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426478 |
OBDepict
O
N
NH
2
N
N
O
N
|
IC50 |
= |
230.0 |
nM |
453.63 |
Nc1cc(C(=O)N2CCC(N3CCCC3)CC2)ccc1C(=O)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426484 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
230.0 |
nM |
452.64 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426374 |
OBDepict
H
3
C
N
NH
O
N
O
N
|
IC50 |
= |
240.0 |
nM |
472.63 |
CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CC5CCC(C4)C5N4CCCC4)cc3)cc2C1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426462 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
250.0 |
nM |
424.59 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)C2)cc1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134129 |
OBDepict
N
N
N
O
|
IC50 |
= |
270.0 |
nM |
355.53 |
c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CC2(COC2)C1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426485 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
270.0 |
nM |
466.67 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(N2CCCCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426494 |
OBDepict
CH
3
N
N
N
H
3
C
O
N
O
N
|
IC50 |
= |
300.0 |
nM |
495.71 |
CC(C1CCN(C(=O)c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)CC1)N1CCN(C)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426488 |
OBDepict
CH
3
N
H
3
C
N
O
N
O
N
|
IC50 |
= |
310.0 |
nM |
412.58 |
CN(C)C1CCN(C(=O)c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134140 |
OBDepict
N
N
N
N
|
IC50 |
= |
320.0 |
nM |
382.6 |
c1cc(N2CCC(N3CCCC3)CC2)ccc1N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426461 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
330.0 |
nM |
410.56 |
O=C(c1ccc(C(=O)N2CC(N3CCCC3)C2)cc1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134133 |
OBDepict
N
N
N
|
IC50 |
= |
350.0 |
nM |
313.49 |
c1cc(N2CCC(N3CCCC3)CC2)ccc1CN1CCCC1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426479 |
OBDepict
O
N
N
O
N
N
|
IC50 |
= |
350.0 |
nM |
438.62 |
O=C(c1ccccc1C(=O)N1CCC(N2CCCC2)CC1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429080 |
single protein format |
CHEMBL3134142 |
OBDepict
N
N
N
N
|
IC50 |
= |
360.0 |
nM |
352.53 |
N#CC1CCN(CCc2ccc(N3CCC(N4CCCC4)CC3)cc2)C1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426497 |
OBDepict
O
N
N
O
N
N
|
IC50 |
= |
360.0 |
nM |
438.62 |
O=C(c1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426373 |
OBDepict
H
3
C
N
NH
O
N
O
N
|
IC50 |
= |
370.0 |
nM |
446.6 |
CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)cc2C1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134143 |
OBDepict
O
N
N
N
|
IC50 |
= |
390.0 |
nM |
341.5 |
O=C1CCN(CCc2ccc(N3CCC(N4CCCC4)CC3)cc2)C1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426470 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
400.0 |
nM |
490.69 |
O=C(c1ccc(C(=O)N2CC3CCC(C2)C3N2CCCC2)cc1)N1CC2CCC(C1)C2N1CCCC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426471 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
400.0 |
nM |
410.56 |
O=C(c1ccc(C(=O)N2CCC(N3CCC3)CC2)cc1)N1CCC(N2CCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426362 |
OBDepict
O
N
O
N
O
N
N
|
IC50 |
= |
530.0 |
nM |
428.58 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)o1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426466 |
OBDepict
O
N
N
N
O
HN
|
IC50 |
= |
560.0 |
nM |
424.59 |
O=C(c1ccc(C(=O)N2CCC3(CCNC3)CC2)cc1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134132 |
OBDepict
N
N
N
|
IC50 |
= |
580.0 |
nM |
341.54 |
c1cc(N2CCC(N3CCCCC3)CC2)ccc1CCN1CCCC1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426472 |
OBDepict
O
N
N
O
N
H
N
H
|
IC50 |
= |
640.0 |
nM |
438.62 |
O=C(c1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1)N1CCC(C2CCCN2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134128 |
OBDepict
N
N
N
O
O
|
IC50 |
= |
650.0 |
nM |
385.55 |
c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCC2(C1)OCCO2 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL2426463 |
OBDepict
O
N
H
N
N
O
N
|
IC50 |
= |
680.0 |
nM |
412.58 |
O=C(NCCCN1CCCC1)c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426361 |
OBDepict
O
N
N
N
O
N
|
IC50 |
= |
690.0 |
nM |
488.68 |
O=C(c1ccc2cc(C(=O)N3CCC(N4CCCC4)CC3)ccc2c1)N1CCC(N2CCCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426491 |
OBDepict
O
N
N
O
NH
N
|
IC50 |
= |
740.0 |
nM |
452.64 |
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCNCC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL2426493 |
OBDepict
CH
3
N
N
N
O
N
O
N
|
IC50 |
= |
830.0 |
nM |
467.66 |
CN1CCC(N2CCN(C(=O)c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)CC2)CC1 |
Homo sapiens |
CHEMBL2429079 |
single protein format |
CHEMBL3134127 |
OBDepict
O
N
N
N
|
IC50 |
= |
850.0 |
nM |
343.52 |
c1cc(N2CCC(N3CCCC3)CC2)ccc1CCN1CCOCC1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |
CHEMBL3134145 |
OBDepict
F
F
N
N
N
|
IC50 |
= |
1000.0 |
nM |
349.47 |
FC1(F)CN(CCc2ccc(N3CCC(N4CCCC4)CC3)cc2)C1 |
Homo sapiens |
CHEMBL3136684 |
single protein format |