molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4128926 |
|
IC50 |
= |
0.28 |
nM |
583.78 |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 |
Homo sapiens |
CHEMBL4121492 |
single protein format |
CHEMBL1823342 |
OBDepict
H
3
C
N
O
CH
3
N
N
F
NH
O
N
|
IC50 |
= |
6.0 |
nM |
565.69 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL2403023 |
OBDepict
H
3
C
N
O
CH
3
N
F
NH
O
N
|
IC50 |
= |
7.0 |
nM |
564.71 |
CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL3104181 |
OBDepict
CH
3
N
H
O
CH
3
N
N
N
N
O
F
|
IC50 |
= |
7.0 |
nM |
475.57 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3cccc(F)c3)c3ncco3)CC2)c(C#N)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823577 |
OBDepict
H
3
C
N
O
CH
3
N
H
N
F
N
H
O
N
|
IC50 |
= |
9.0 |
nM |
565.69 |
CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL1823360 |
OBDepict
H
3
C
N
O
CH
3
N
N
F
NH
O
|
IC50 |
= |
10.0 |
nM |
564.71 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104180 |
OBDepict
CH
3
N
O
CH
3
N
N
N
O
N
N
CH
3
CH
3
|
IC50 |
= |
11.0 |
nM |
486.62 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2C#N)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823354 |
OBDepict
H
3
C
NH
O
N
N
N
N
H
O
|
IC50 |
= |
11.0 |
nM |
543.67 |
CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL2402905 |
OBDepict
CH
3
HN
O
N
F
N
H
O
|
IC50 |
= |
12.0 |
nM |
535.66 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL2403028 |
OBDepict
CH
3
N
O
CH
3
N
F
N
H
N
H
O
H
3
C
N
CH
3
O
|
IC50 |
= |
12.0 |
nM |
521.64 |
CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL3104200 |
OBDepict
CH
3
NH
O
H
3
C
F
N
N
O
CH
3
CH
3
|
IC50 |
= |
12.0 |
nM |
481.66 |
CCC(CC)C(=O)Nc1ccc(N2CCC(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104202 |
OBDepict
CH
3
N
O
CH
3
N
F
N
H
O
H
3
C
N
CH
3
O
|
IC50 |
= |
14.0 |
nM |
520.65 |
CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823578 |
OBDepict
H
3
C
N
O
CH
3
N
H
N
F
N
H
O
N
|
IC50 |
= |
14.0 |
nM |
565.69 |
CCN(CC)C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL2403027 |
OBDepict
CH
3
HN
O
N
F
N
H
N
H
O
H
3
C
N
CH
3
O
|
IC50 |
= |
15.0 |
nM |
493.58 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL3104205 |
OBDepict
CH
3
N
O
CH
3
N
N
F
N
H
N
H
O
H
3
C
N
CH
3
O
|
IC50 |
= |
16.0 |
nM |
522.63 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104194 |
OBDepict
H
3
C
HN
O
CH
3
F
N
N
N
O
H
3
C
H
3
C
O
CH
3
|
IC50 |
= |
18.0 |
nM |
512.67 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(OC)cc3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104207 |
OBDepict
CH
3
N
O
H
3
C
N
N
F
NH
O
|
IC50 |
= |
20.0 |
nM |
556.73 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104204 |
OBDepict
CH
3
N
O
CH
3
N
N
F
N
H
O
H
3
C
N
CH
3
O
|
IC50 |
= |
20.0 |
nM |
521.64 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL2402906 |
OBDepict
CH
3
HN
O
N
F
N
H
O
N
|
IC50 |
= |
24.0 |
nM |
536.65 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL3104201 |
OBDepict
CH
3
N
O
H
3
C
N
F
N
H
O
O
|
IC50 |
= |
25.0 |
nM |
481.61 |
CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)C3CCOC3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823347 |
OBDepict
CH
3
O
O
N
N
N
N
H
O
|
IC50 |
= |
25.0 |
nM |
530.63 |
COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL1823341 |
OBDepict
CH
3
O
N
N
O
N
Cl
N
H
CH
3
CH
3
|
IC50 |
= |
25.0 |
nM |
465.0 |
COc1cccnc1C(=O)N1CCN(c2ccc(NC(C)(C)c3ccccc3)cc2Cl)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104196 |
OBDepict
CH
3
NH
O
H
3
C
F
N
N
N
O
CH
3
CH
3
O
F
F
F
|
IC50 |
= |
26.0 |
nM |
566.64 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104218 |
OBDepict
CH
3
N
O
CH
3
N
N
F
NH
O
CH
3
N
H
3
C
O
|
IC50 |
= |
26.0 |
nM |
507.61 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL2403025 |
OBDepict
CH
3
N
H
O
N
F
N
H
NH
O
|
IC50 |
= |
27.0 |
nM |
550.68 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL3104124 |
OBDepict
CH
3
N
H
O
CH
3
F
N
N
O
N
N
CH
3
|
IC50 |
= |
27.0 |
nM |
465.57 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(C)no3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104125 |
OBDepict
CH
3
N
N
O
N
N
F
N
H
O
CH
3
CH
3
|
IC50 |
= |
27.0 |
nM |
479.6 |
CCc1noc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)n1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823356 |
OBDepict
H
3
C
NH
O
N
N
N
N
H
O
N
|
IC50 |
= |
30.0 |
nM |
544.66 |
CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2C#N)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104214 |
OBDepict
CH
3
NH
O
H
3
C
F
N
N
N
O
CH
3
CH
3
F
|
IC50 |
= |
33.0 |
nM |
500.63 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(F)c3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104179 |
OBDepict
CH
3
N
H
O
CH
3
F
N
N
N
N
|
IC50 |
= |
33.0 |
nM |
461.59 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncccn3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104178 |
OBDepict
CH
3
N
H
O
CH
3
F
N
N
O
|
IC50 |
= |
34.0 |
nM |
453.6 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)C3CCOC3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104219 |
OBDepict
CH
3
N
O
CH
3
N
N
F
NH
O
N
CH
3
N
CH
3
|
IC50 |
= |
35.0 |
nM |
520.65 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)cnn3CC)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823353 |
OBDepict
CH
3
HN
O
N
N
F
N
H
O
|
IC50 |
= |
35.0 |
nM |
536.65 |
CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL2403024 |
OBDepict
CH
3
N
O
CH
3
N
F
NH
O
CH
3
N
H
3
C
O
|
IC50 |
= |
37.0 |
nM |
506.62 |
CCN(CC)C(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL1823344 |
OBDepict
CH
3
O
O
N
N
F
N
H
O
N
|
IC50 |
= |
37.0 |
nM |
524.6 |
COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2F)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL1823359 |
OBDepict
N
N
NH
O
N
N
O
CH
3
H
3
C
|
IC50 |
= |
37.0 |
nM |
571.73 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104177 |
OBDepict
CH
3
N
H
O
CH
3
F
N
N
O
N
CH
3
|
IC50 |
= |
38.0 |
nM |
464.59 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3cc(C)no3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104216 |
OBDepict
CH
3
NH
O
H
3
C
F
N
N
N
O
CH
3
CH
3
O
CH
3
|
IC50 |
= |
40.0 |
nM |
512.67 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(OC)c3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823350 |
OBDepict
CH
3
O
O
N
N
F
N
H
O
N
|
IC50 |
= |
40.0 |
nM |
524.6 |
COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104183 |
OBDepict
CH
3
N
O
CH
3
N
N
F
O
N
N
CH
3
CH
3
|
IC50 |
= |
41.0 |
nM |
479.6 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823355 |
OBDepict
CH
3
HN
O
N
N
F
N
H
O
N
|
IC50 |
= |
42.0 |
nM |
537.64 |
CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104195 |
OBDepict
CH
3
O
N
N
O
H
3
C
CH
3
N
F
N
H
O
CH
3
CH
3
|
IC50 |
= |
44.0 |
nM |
526.7 |
CCOc1ccc(C(C(=O)N(CC)CC)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)cc1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104193 |
OBDepict
H
3
C
HN
O
CH
3
F
N
N
N
O
H
3
C
H
3
C
N
|
IC50 |
= |
44.0 |
nM |
507.65 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(C#N)cc3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL2403029 |
OBDepict
CH
3
HN
O
N
F
HN
O
|
IC50 |
= |
45.0 |
nM |
535.66 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL1823576 |
OBDepict
CH
3
NH
O
H
3
C
F
N
N
N
O
CH
3
CH
3
|
IC50 |
= |
50.0 |
nM |
482.64 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104215 |
OBDepict
CH
3
NH
O
H
3
C
F
N
N
N
O
CH
3
CH
3
Cl
|
IC50 |
= |
50.0 |
nM |
517.09 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3cccc(Cl)c3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823346 |
OBDepict
CH
3
O
O
N
N
F
N
H
O
|
IC50 |
= |
52.0 |
nM |
523.61 |
COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104210 |
OBDepict
CH
3
N
O
CH
3
N
N
F
NH
O
H
O
|
IC50 |
= |
65.0 |
nM |
482.6 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)[C@H]3CCOC3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104213 |
OBDepict
H
3
C
N
O
CH
3
N
N
F
NH
O
H
3
C
|
IC50 |
= |
70.0 |
nM |
508.68 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3(C)CCCCC3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL2402907 |
OBDepict
CH
3
NH
O
N
F
NH
O
S
|
IC50 |
= |
70.0 |
nM |
541.69 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3-c3ccsc3)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL3104208 |
OBDepict
H
3
C
N
O
CH
3
N
N
F
NH
O
CH
3
H
H
3
C
|
IC50 |
= |
70.0 |
nM |
468.62 |
CC[C@H](C)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104206 |
OBDepict
H
3
C
N
O
CH
3
N
N
F
N
H
O
CH
3
CH
3
Cl
|
IC50 |
= |
72.0 |
nM |
565.13 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104122 |
OBDepict
H
3
C
N
O
CH
3
N
N
F
O
CH
3
|
IC50 |
= |
78.0 |
nM |
475.61 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3OC)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104209 |
OBDepict
CH
3
N
O
H
3
C
N
N
F
N
H
O
|
IC50 |
= |
80.0 |
nM |
480.63 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C3CCCC3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104182 |
OBDepict
H
3
C
N
O
H
3
C
N
N
F
O
N
N
H
3
C
|
IC50 |
= |
85.0 |
nM |
451.55 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104197 |
OBDepict
H
3
C
HN
O
CH
3
F
N
N
N
O
H
3
C
H
3
C
OH
|
IC50 |
= |
100.0 |
nM |
498.64 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(O)cc3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104192 |
OBDepict
H
3
C
HN
O
CH
3
F
N
N
N
O
H
3
C
H
3
C
Cl
|
IC50 |
= |
100.0 |
nM |
517.09 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(Cl)cc3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823348 |
OBDepict
CH
3
O
O
N
N
CH
3
N
H
O
|
IC50 |
= |
100.0 |
nM |
519.65 |
COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL21283 |
OBDepict
N
N
O
N
N
O
CH
3
|
IC50 |
= |
100.0 |
nM |
510.68 |
CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(CCC4CCCC4)CC3)cc21 |
Homo sapiens |
CHEMBL1063992 |
single protein format |
CHEMBL3104113 |
OBDepict
H
3
C
N
O
H
3
C
N
N
F
S
N
N
H
3
C
|
IC50 |
= |
110.0 |
nM |
467.61 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)ns3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104184 |
OBDepict
CH
3
N
O
CH
3
N
N
F
N
N
O
H
3
C
CH
3
|
IC50 |
= |
130.0 |
nM |
479.6 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)C)n3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104199 |
OBDepict
CH
3
N
H
O
CH
3
F
N
N
N
O
F
CH
3
H
3
C
F
|
IC50 |
= |
150.0 |
nM |
518.62 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)cc3F)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104176 |
OBDepict
H
3
C
O
N
N
N
N
F
HN
O
CH
3
CH
3
|
IC50 |
= |
150.0 |
nM |
479.6 |
CCc1nc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)no1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823358 |
OBDepict
H
3
C
NH
O
N
N
N
HN
O
CH
3
H
3
C
|
IC50 |
= |
150.0 |
nM |
461.61 |
CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(CC)CC)cc2C#N)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104118 |
OBDepict
CH
3
N
O
CH
3
N
N
F
N
N
O
F
|
IC50 |
= |
160.0 |
nM |
469.54 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(CF)n3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL2403026 |
OBDepict
CH
3
N
H
O
N
F
N
H
HN
O
CH
3
H
3
C
|
IC50 |
= |
162.0 |
nM |
502.63 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)cccc3C)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL1823352 |
OBDepict
CH
3
O
O
N
N
F
N
H
O
CH
3
CH
3
|
IC50 |
= |
165.0 |
nM |
441.55 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104227 |
OBDepict
CH
3
N
H
O
CH
3
F
N
N
O
N
N
H
3
C
CH
3
|
IC50 |
= |
170.0 |
nM |
493.63 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(C(C)C)no3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104191 |
OBDepict
H
3
C
HN
O
CH
3
F
N
N
N
O
H
3
C
H
3
C
F
|
IC50 |
= |
200.0 |
nM |
500.63 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)cc3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823575 |
OBDepict
CH
3
NH
O
H
3
C
N
N
N
N
O
CH
3
CH
3
|
IC50 |
= |
200.0 |
nM |
489.66 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)c(C#N)c1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL1543306 |
OBDepict
H
3
C
O
HN
N
S
OH
|
IC50 |
= |
200.0 |
nM |
446.62 |
CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL1823349 |
OBDepict
CH
3
O
O
N
N
N
H
O
N
|
IC50 |
= |
220.0 |
nM |
506.61 |
COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104185 |
OBDepict
CH
3
N
O
CH
3
N
N
F
N
O
N
H
3
C
CH
3
|
IC50 |
= |
220.0 |
nM |
479.6 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nnc(C(C)C)o3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL1823343 |
OBDepict
CH
3
O
O
N
N
N
H
O
N
|
IC50 |
= |
240.0 |
nM |
506.61 |
COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccncc3)cc2)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3104114 |
OBDepict
H
3
C
O
N
N
F
N
N
N
O
CH
3
H
3
C
|
IC50 |
= |
240.0 |
nM |
465.57 |
CCc1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104123 |
OBDepict
CH
3
N
H
O
CH
3
F
N
N
N
O
N
|
IC50 |
= |
240.0 |
nM |
451.55 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ncno3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104115 |
OBDepict
CH
3
N
O
CH
3
N
N
F
N
N
O
|
IC50 |
= |
270.0 |
nM |
477.58 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104175 |
OBDepict
CH
3
N
H
O
CH
3
F
N
N
N
O
N
H
3
C
CH
3
|
IC50 |
= |
290.0 |
nM |
493.63 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nnc(C(C)C)o3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104212 |
OBDepict
CH
3
N
O
CH
3
N
N
F
N
H
O
|
IC50 |
= |
300.0 |
nM |
466.6 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)CC3CC3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104203 |
OBDepict
H
3
C
N
O
H
3
C
N
N
F
HN
O
N
H
3
C
N
CH
3
H
3
C
CH
3
|
IC50 |
= |
300.0 |
nM |
548.71 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3c(C)cnn3C(C)(C)C)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104198 |
OBDepict
CH
3
NH
O
H
3
C
F
N
N
N
O
CH
3
CH
3
F
F
|
IC50 |
= |
330.0 |
nM |
518.62 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccc(F)c(F)c3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104188 |
OBDepict
H
3
C
N
O
H
3
C
N
N
F
N
H
N
O
CH
3
H
3
C
|
IC50 |
= |
340.0 |
nM |
493.63 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cc(=O)n(C(C)C)[nH]3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL21941 |
OBDepict
O
N
N
N
+
N
O
CH
3
O
_
O
|
IC50 |
= |
350.0 |
nM |
530.67 |
CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCC4)CC3)cc21 |
Homo sapiens |
CHEMBL750768 |
single protein format |
CHEMBL1823357 |
OBDepict
H
3
C
NH
O
N
N
F
HN
O
CH
3
H
3
C
|
IC50 |
= |
370.0 |
nM |
454.59 |
CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)C(CC)CC)cc2F)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL3102871 |
OBDepict
H
3
C
N
O
CH
3
N
N
F
|
IC50 |
= |
420.0 |
nM |
445.58 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL95963 |
OBDepict
CH
3
N
H
3
C
N
O
S
|
IC50 |
= |
450.0 |
nM |
428.6 |
CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1Cc1ccccc1 |
Homo sapiens |
CHEMBL3107075 |
single protein format |
CHEMBL3104189 |
OBDepict
CH
3
O
N
F
N
N
N
O
CH
3
H
3
C
|
IC50 |
= |
460.0 |
nM |
464.59 |
CCc1cnc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)o1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL2402909 |
OBDepict
CH
3
NH
O
N
F
NH
O
CH
3
N
H
3
C
O
|
IC50 |
= |
476.0 |
nM |
478.57 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3c(C)noc3C)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL3104117 |
OBDepict
H
3
C
N
O
CH
3
N
N
F
N
N
O
H
3
C
H
3
C
|
IC50 |
= |
480.0 |
nM |
507.65 |
CCC(CC)c1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL22840 |
OBDepict
O
N
N
N
+
N
O
CH
3
O
_
O
|
IC50 |
= |
500.0 |
nM |
544.7 |
CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCCC4)CC3)cc21 |
Homo sapiens |
CHEMBL750768 |
single protein format |
CHEMBL1823351 |
OBDepict
CH
3
O
O
N
N
N
H
O
CH
3
CH
3
|
IC50 |
= |
530.0 |
nM |
423.56 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)cc1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL1823345 |
OBDepict
CH
3
O
O
N
N
N
H
O
|
IC50 |
= |
530.0 |
nM |
505.62 |
COC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CC1 |
Homo sapiens |
CHEMBL1827365 |
cell-based format |
CHEMBL21507 |
OBDepict
O
N
N
N
O
H
3
C
|
IC50 |
= |
600.0 |
nM |
499.7 |
CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21 |
Homo sapiens |
CHEMBL750768 |
single protein format |
CHEMBL3104116 |
OBDepict
H
3
C
N
O
H
3
C
N
N
F
N
N
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
600.0 |
nM |
493.63 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C(C)(C)C)n3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL2402908 |
OBDepict
CH
3
HN
O
N
F
NH
O
Br
|
IC50 |
= |
665.0 |
nM |
538.46 |
CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2F)CC1 |
Homo sapiens |
CHEMBL2404394 |
cell-based format |
CHEMBL3104228 |
OBDepict
H
3
C
NH
O
H
3
C
F
N
N
O
N
N
|
IC50 |
= |
720.0 |
nM |
527.64 |
CCC(CC)C(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3nc(-c4ccccc4)no3)CC2)c(F)c1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104121 |
OBDepict
H
3
C
N
O
CH
3
N
N
F
N
|
IC50 |
= |
740.0 |
nM |
446.57 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cccnc3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL265065 |
OBDepict
O
N
N
N
O
CH
3
|
IC50 |
= |
800.0 |
nM |
485.67 |
CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCC4CCCC4)CC3)cc21 |
Homo sapiens |
CHEMBL750768 |
single protein format |
CHEMBL3104190 |
OBDepict
CH
3
N
O
CH
3
N
N
F
N
H
N
CH
3
|
IC50 |
= |
810.0 |
nM |
449.57 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3cc(C)n[nH]3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |
CHEMBL3104186 |
OBDepict
H
3
C
N
O
H
3
C
N
N
F
N
N
N
H
CH
3
H
3
C
|
IC50 |
= |
830.0 |
nM |
478.62 |
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nnc(C(C)C)[nH]3)cc2F)CC1 |
Homo sapiens |
CHEMBL3107076 |
single protein format |