molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL218374 |
|
Ki |
= |
0.17 |
nM |
481.57 |
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL374939 |
OBDepict
H
3
C
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
0.3 |
nM |
493.63 |
CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221865 |
OBDepict
CH
3
N
H
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
0.7 |
nM |
480.59 |
CNC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL386308 |
OBDepict
O
N
H
NH
NH
S
O
O
N
H
O
H
3
C
|
Ki |
= |
0.7 |
nM |
520.66 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CCCN3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL373739 |
OBDepict
O
N
N
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
1.1 |
nM |
520.66 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCCC3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL375854 |
OBDepict
O
N
N
H
HN
S
O
O
N
H
O
H
3
C
|
Ki |
= |
1.5 |
nM |
506.63 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CNC3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL376910 |
OBDepict
O
N
N
H
3
C
CH
3
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
1.6 |
nM |
494.62 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N(C)C)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221867 |
OBDepict
H
2
N
N
O
NH
S
O
O
N
H
O
H
3
C
|
Ki |
= |
1.6 |
nM |
508.64 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCN)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL218375 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
1.6 |
nM |
495.6 |
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL220701 |
OBDepict
H
3
C
NH
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
2.2 |
nM |
494.62 |
CCNC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL218037 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
N
H
O
|
Ki |
= |
2.3 |
nM |
481.57 |
CCOC(=O)N1CCC(NS(=O)(=O)c2cccc3c(NC(=O)c4ccccc4)cccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL220753 |
OBDepict
CH
3
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
2.5 |
nM |
479.6 |
CCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221130 |
OBDepict
O
N
N
HN
S
O
O
N
H
O
H
3
C
|
Ki |
= |
3.5 |
nM |
506.63 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCC3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221904 |
OBDepict
H
2
N
N
O
NH
S
O
O
N
H
O
H
3
C
|
Ki |
= |
4.1 |
nM |
480.59 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)CN)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221251 |
OBDepict
CH
3
N
N
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
4.2 |
nM |
549.7 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCN(C)CC3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL385108 |
OBDepict
O
N
N
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
4.2 |
nM |
534.68 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCCCC3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL218503 |
OBDepict
O
N
H
S
NH
O
O
|
Ki |
= |
4.4 |
nM |
408.52 |
O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)c2ccccc12)c1ccccc1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL375315 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
5.21 |
nM |
495.6 |
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3C)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL218036 |
OBDepict
HO
N
O
NH
S
O
O
N
H
O
H
3
C
|
Ki |
= |
5.4 |
nM |
481.57 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)CO)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL205993 |
OBDepict
OH
O
N
H
3
C
H
3
C
N
H
O
N
O
Cl
|
Ki |
= |
6.0 |
nM |
576.14 |
CC(C)(C(=O)O)N1CCC(C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)C1 |
Homo sapiens |
CHEMBL867801 |
cell-based format |
CHEMBL218218 |
OBDepict
O
N
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
6.3 |
nM |
536.65 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221977 |
OBDepict
CH
3
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
6.7 |
nM |
465.58 |
CC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL374979 |
OBDepict
O
N
NH
S
O
O
N
H
O
H
3
C
|
Ki |
= |
7.2 |
nM |
491.61 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL380492 |
OBDepict
OH
O
N
H
3
C
H
3
C
N
H
O
N
O
Cl
|
Ki |
= |
9.0 |
nM |
590.16 |
CC(C)(C(=O)O)N1CCC(C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1 |
Homo sapiens |
CHEMBL867801 |
cell-based format |
CHEMBL219433 |
OBDepict
O
N
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
9.1 |
nM |
519.67 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCC3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221021 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
N
H
O
|
Ki |
= |
9.5 |
nM |
487.62 |
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)NC3CCCCC3)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL209350 |
OBDepict
CH
3
N
NH
O
N
O
O
H
3
C
|
Ki |
= |
11.0 |
nM |
527.71 |
CCN1CCC(C(=O)NC2CCN(Cc3cccc(Oc4ccccc4OC)c3)CC2)(c2ccccc2)CC1 |
Homo sapiens |
CHEMBL867801 |
cell-based format |
CHEMBL220703 |
OBDepict
NH
2
N
O
NH
S
O
O
N
H
O
H
3
C
|
Ki |
= |
11.3 |
nM |
494.62 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)CCN)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL204419 |
OBDepict
CH
3
N
NH
O
N
O
Cl
|
Ki |
= |
15.0 |
nM |
532.13 |
CCN1CCC(C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1 |
Homo sapiens |
CHEMBL867801 |
cell-based format |
CHEMBL376076 |
OBDepict
O
N
O
CH
3
CH
3
CH
3
HN
S
O
O
N
H
O
|
Ki |
= |
15.2 |
nM |
509.63 |
CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221961 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
15.8 |
nM |
495.6 |
COCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL426207 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
O
O
|
Ki |
= |
16.4 |
nM |
482.56 |
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(OC(=O)c3ccccc3)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL436753 |
OBDepict
CH
3
N
N
H
O
O
OH
N
O
Cl
|
Ki |
= |
23.0 |
nM |
576.14 |
CCN1CCC(C(=O)NC2(C(=O)O)CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1 |
Homo sapiens |
CHEMBL867801 |
cell-based format |
CHEMBL381619 |
OBDepict
Cl
O
N
NH
O
NH
|
Ki |
= |
27.0 |
nM |
490.05 |
O=C(NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)C1(c2ccccc2)CCNC1 |
Homo sapiens |
CHEMBL867801 |
cell-based format |
CHEMBL221345 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
N
H
|
Ki |
= |
32.1 |
nM |
495.65 |
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NCCCc3ccccc3)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL219327 |
OBDepict
H
3
C
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
34.3 |
nM |
479.6 |
CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)C1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL222058 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
N
H
|
Ki |
= |
35.7 |
nM |
481.62 |
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NCCc3ccccc3)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221789 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
O
|
Ki |
= |
37.9 |
nM |
468.58 |
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(OCc3ccccc3)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL412116 |
OBDepict
CH
3
O
HN
S
O
O
N
H
O
|
Ki |
= |
42.6 |
nM |
432.5 |
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc23)cc1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL375880 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
N
H
|
Ki |
= |
45.6 |
nM |
467.59 |
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NCc3ccccc3)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL217979 |
OBDepict
H
3
C
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
50.9 |
nM |
465.58 |
CCCC(=O)N1CC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)C1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL379834 |
OBDepict
CH
3
O
O
N
HN
O
HO
O
HN
|
Ki |
= |
60.0 |
nM |
543.66 |
COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccccc4)CCNCC3)(C(=O)O)CC2)c1 |
Homo sapiens |
CHEMBL867801 |
cell-based format |
CHEMBL205447 |
OBDepict
CH
3
O
O
N
N
H
O
N
H
|
Ki |
= |
62.0 |
nM |
499.66 |
COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccccc4)CCNCC3)CC2)c1 |
Homo sapiens |
CHEMBL867801 |
cell-based format |
CHEMBL218366 |
OBDepict
O
N
N
HN
S
O
O
N
H
O
CH
3
O
|
Ki |
= |
71.0 |
nM |
578.74 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCN3CCOCC3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL385288 |
OBDepict
CH
3
NH
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
77.4 |
nM |
508.64 |
CCCNC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL218350 |
OBDepict
CH
3
HN
CH
3
N
O
NH
S
O
O
N
H
O
H
3
C
|
Ki |
= |
77.7 |
nM |
508.64 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)NC(C)C)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL387451 |
OBDepict
H
3
C
N
H
O
S
NH
O
O
N
O
|
Ki |
= |
81.1 |
nM |
527.65 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL387161 |
OBDepict
O
N
HN
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
108.0 |
nM |
542.66 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221078 |
OBDepict
O
N
N
HN
CH
3
H
3
C
S
O
O
N
H
O
CH
3
|
Ki |
= |
114.0 |
nM |
570.72 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL219589 |
OBDepict
H
3
C
O
N
O
HN
S
O
O
N
H
N
O
|
Ki |
= |
125.6 |
nM |
488.61 |
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL221638 |
OBDepict
NH
2
N
O
NH
S
O
O
N
H
O
H
3
C
|
Ki |
= |
199.0 |
nM |
522.67 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)CCCCN)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL222111 |
OBDepict
O
N
H
S
NH
O
O
|
Ki |
= |
233.1 |
nM |
416.5 |
O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)c2ccccc12)c1ccccc1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL373504 |
OBDepict
NH
2
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
243.0 |
nM |
466.56 |
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(N)=O)CC2)c2ccccc12 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL210322 |
OBDepict
CH
3
O
O
N
N
H
O
|
Ki |
= |
250.0 |
nM |
430.55 |
COc1ccccc1Oc1cccc(CN2CCC(NC(=O)Cc3ccccc3)CC2)c1 |
Homo sapiens |
CHEMBL867801 |
cell-based format |
CHEMBL205457 |
OBDepict
CH
3
O
O
N
N
H
O
Cl
|
Ki |
= |
250.0 |
nM |
533.11 |
COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)c1 |
Homo sapiens |
CHEMBL867801 |
cell-based format |
CHEMBL219487 |
OBDepict
CH
3
N
CH
3
N
O
HN
S
O
O
N
H
O
CH
3
|
Ki |
= |
566.5 |
nM |
564.75 |
CCN(CC)CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |
CHEMBL219588 |
OBDepict
O
N
H
S
NH
O
O
HN
|
Ki |
= |
578.0 |
nM |
409.51 |
O=C(Nc1ccc(S(=O)(=O)NC2CCNCC2)c2ccccc12)c1ccccc1 |
Homo sapiens |
CHEMBL855762 |
cell-based format |