molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1770975 |
|
Ki |
= |
0.04 |
nM |
277.42 |
CN[C@@H]1CCN(c2cc(N)nc(NCC(C)(C)C)c2)C1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL1914541 |
OBDepict
CH
3
N
N
N
O
NH
2
N
Cl
|
Ki |
= |
0.1 |
nM |
317.78 |
CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)CC1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1770971 |
OBDepict
CH
3
HN
H
N
HN
N
NH
2
CH
3
H
3
C
|
Ki |
= |
0.2 |
nM |
263.39 |
CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)c2)C1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL1083162 |
OBDepict
H
N
N
N
H
O
H
3
C
N
N
H
H
3
C
F
|
Ki |
= |
0.21 |
nM |
407.49 |
Cc1cc(OCCCNCCc2c[nH]cn2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 |
Homo sapiens |
CHEMBL1117989 |
single protein format |
CHEMBL1914462 |
OBDepict
CH
3
N
N
N
S
NH
2
N
Cl
|
Ki |
= |
0.3 |
nM |
333.85 |
CN1CCN(c2nc(N)nc3c2sc2ccc(Cl)cc23)CC1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1770968 |
OBDepict
CH
3
N
N
HN
N
NH
2
H
3
C
H
3
C
CH
3
|
Ki |
= |
0.3 |
nM |
277.42 |
CN1CCN(c2cc(N)nc(NCC(C)(C)C)c2)CC1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL1091874 |
OBDepict
CH
3
NH
H
N
N
O
NH
2
N
Cl
|
Ki |
= |
0.4 |
nM |
317.78 |
CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1914781 |
OBDepict
CH
3
NH
H
N
N
O
NH
2
N
Br
|
Ki |
= |
0.7 |
nM |
362.23 |
CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Br)cc23)C1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1914755 |
OBDepict
H
3
C
N
N
N
O
NH
2
N
F
F
F
|
Ki |
= |
0.8 |
nM |
351.33 |
CN1CCN(c2nc(N)nc3c2oc2ccc(C(F)(F)F)cc23)CC1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL3393547 |
OBDepict
CH
3
N
H
H
N
N
N
N
H
|
Ki |
= |
0.8 |
nM |
287.41 |
CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)n2)C1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL1770973 |
OBDepict
CH
3
HN
H
N
HN
N
NH
2
|
Ki |
= |
0.9 |
nM |
275.4 |
CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)c2)C1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL1914750 |
OBDepict
CH
3
N
H
N
N
O
NH
2
N
Cl
|
Ki |
= |
0.9 |
nM |
317.78 |
CNC1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL3236556 |
OBDepict
NH
2
N
N
N
H
NH
2
|
Ki |
= |
0.92 |
nM |
247.35 |
Nc1nc(C2CCCC2)cc(N2CC[C@@H](N)C2)n1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL1091874 |
OBDepict
CH
3
NH
H
N
N
O
NH
2
N
Cl
|
IC50 |
= |
1.0 |
nM |
317.78 |
CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 |
Homo sapiens |
CHEMBL1103488 |
single protein format |
CHEMBL3393534 |
OBDepict
CH
3
N
H
H
N
N
N
H
|
Ki |
= |
1.0 |
nM |
286.42 |
CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL1770992 |
OBDepict
CH
3
HN
H
N
N
NH
2
N
HN
CH
3
H
3
C
|
Ki |
= |
1.0 |
nM |
264.38 |
CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)n2)C1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL373579 |
OBDepict
H
3
C
N
N
O
Cl
N
N
H
CH
3
CH
3
|
Ki |
= |
1.0 |
nM |
426.99 |
Cc1cc(C)c2nc(-c3ccc(OCCCN4CCCN(C)CC4)cc3Cl)[nH]c2c1 |
Homo sapiens |
CHEMBL908472 |
cell-based format |
CHEMBL1914760 |
OBDepict
CH
3
N
N
N
S
NH
2
N
Br
|
Ki |
= |
1.0 |
nM |
378.3 |
CN1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)CC1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1914783 |
OBDepict
CH
3
NH
H
N
N
O
NH
2
N
F
F
F
|
Ki |
= |
1.0 |
nM |
351.33 |
CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(C(F)(F)F)cc23)C1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1771001 |
OBDepict
CH
3
N
N
N
HN
N
NH
2
|
Ki |
= |
1.0 |
nM |
276.39 |
CN1CCN(c2cc(NC3CCCC3)nc(N)n2)CC1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL1914540 |
OBDepict
H
2
N
N
N
N
O
HN
Cl
|
Ki |
= |
1.1 |
nM |
317.78 |
Nc1nc(N2CCCNCC2)c2oc3ccc(Cl)cc3c2n1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1098230 |
OBDepict
H
N
N
S
CH
3
H
3
C
CH
3
|
Ki |
= |
1.1 |
nM |
260.41 |
CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 |
Homo sapiens |
CHEMBL1112054 |
cell-based format |
CHEMBL3236554 |
OBDepict
CH
3
N
H
H
N
N
N
NH
2
|
Ki |
= |
1.1 |
nM |
261.37 |
CN[C@@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL1914542 |
OBDepict
Cl
O
N
NH
2
N
N
NH
|
Ki |
= |
1.1 |
nM |
303.75 |
Nc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL3236553 |
OBDepict
NH
2
N
N
N
NH
|
Ki |
= |
1.2 |
nM |
247.35 |
Nc1nc(C2CCCC2)cc(N2CCNCC2)n1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL3236552 |
OBDepict
CH
3
N
N
N
N
NH
2
|
Ki |
= |
1.4 |
nM |
261.37 |
CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL3236571 |
OBDepict
CH
3
N
N
N
NH
2
H
HN
H
3
C
|
Ki |
= |
1.5 |
nM |
249.36 |
CCCCc1cc(N2CC[C@@H](NC)C2)nc(N)n1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL3236579 |
OBDepict
H
3
C
NH
H
N
N
NH
2
N
|
Ki |
= |
1.7 |
nM |
327.48 |
CN[C@@H]1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)C1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL1915536 |
OBDepict
H
3
C
NH
N
N
N
H
N
NH
2
H
3
C
CH
3
H
3
C
|
Ki |
= |
1.7 |
nM |
264.38 |
CNC1CN(c2cc(NCC(C)(C)C)nc(N)n2)C1 |
Homo sapiens |
CHEMBL1920855 |
cell-based format |
CHEMBL3236560 |
OBDepict
NH
2
N
N
N
H
N
H
H
|
Ki |
= |
1.8 |
nM |
287.41 |
Nc1nc(C2CCCC2)cc(N2C[C@H]3CCCN[C@H]3C2)n1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL3393526 |
OBDepict
CH
3
HN
H
N
N
HN
CH
3
H
3
C
|
Ki |
= |
2.0 |
nM |
248.37 |
CN[C@@H]1CCN(c2ccnc(NCC(C)C)c2)C1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL3393544 |
OBDepict
CH
3
HN
H
N
N
N
HN
|
Ki |
= |
2.0 |
nM |
261.37 |
CN[C@@H]1CCN(c2ccnc(NC3CCCC3)n2)C1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL1091875 |
OBDepict
CH
3
NH
H
N
N
O
NH
2
N
Cl
|
Ki |
= |
2.0 |
nM |
317.78 |
CN[C@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL3354820 |
OBDepict
NH
2
N
N
N
H
HN
|
Ki |
= |
2.0 |
nM |
261.37 |
Nc1cc(N2CCNCC2)cc(NC2CCCC2)n1 |
Homo sapiens |
CHEMBL3388263 |
single protein format |
CHEMBL3393539 |
OBDepict
CH
3
HN
H
N
N
N
HN
CH
3
H
3
C
|
Ki |
= |
2.0 |
nM |
249.36 |
CN[C@@H]1CCN(c2ccnc(NCC(C)C)n2)C1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL1914782 |
OBDepict
CH
3
NH
H
N
N
O
NH
2
N
F
|
Ki |
= |
2.0 |
nM |
301.32 |
CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(F)cc23)C1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1770964 |
OBDepict
H
3
C
CH
3
NH
N
N
NH
2
N
H
3
C
|
Ki |
= |
2.0 |
nM |
263.39 |
CC(C)CNc1cc(N2CCN(C)CC2)cc(N)n1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL1771000 |
OBDepict
H
3
C
CH
3
NH
N
N
N
NH
2
N
H
3
C
|
Ki |
= |
2.0 |
nM |
264.38 |
CC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL1914788 |
OBDepict
CH
3
NH
H
N
N
S
NH
2
N
Br
|
Ki |
= |
2.1 |
nM |
378.3 |
CN[C@@H]1CCN(c2nc(N)nc3c2sc2ccc(Br)cc23)C1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL3236576 |
OBDepict
CH
3
N
H
H
N
N
N
NH
2
|
Ki |
= |
2.3 |
nM |
275.4 |
CN[C@@H]1CCN(c2cc(C3CCCCC3)nc(N)n2)C1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL1915540 |
OBDepict
CH
3
N
H
H
N
N
N
H
N
H
2
N
|
Ki |
= |
2.4 |
nM |
262.36 |
CN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1 |
Homo sapiens |
CHEMBL1920855 |
cell-based format |
CHEMBL1914543 |
OBDepict
Cl
O
N
NH
2
N
N
H
H
2
N
|
Ki |
= |
2.4 |
nM |
303.75 |
Nc1nc(N2CC[C@@H](N)C2)c2oc3ccc(Cl)cc3c2n1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL3236575 |
OBDepict
H
3
C
N
H
H
N
N
N
NH
2
|
Ki |
= |
2.4 |
nM |
247.35 |
CN[C@@H]1CCN(c2cc(C3CCC3)nc(N)n2)C1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL4102970 |
OBDepict
H
N
N
O
+
N
O
_
O
|
Ki |
= |
2.7 |
nM |
337.38 |
O=[N+]([O-])c1cccc(C(OCCCc2c[nH]cn2)c2ccccc2)c1 |
Homo sapiens |
CHEMBL4041923 |
cell-based format |
CHEMBL3236561 |
OBDepict
NH
2
N
N
N
H
N
H
H
|
Ki |
= |
2.9 |
nM |
273.38 |
Nc1nc(C2CCCC2)cc(N2C[C@H]3CCN[C@H]3C2)n1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL1770966 |
OBDepict
CH
3
N
N
N
H
N
NH
2
|
Ki |
= |
3.0 |
nM |
275.4 |
CN1CCN(c2cc(N)nc(NC3CCCC3)c2)CC1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL1770977 |
OBDepict
CH
3
N
H
H
N
N
N
H
N
NH
2
CH
3
H
3
C
|
Ki |
= |
3.0 |
nM |
250.35 |
CN[C@@H]1CCN(c2cc(NC(C)C)nc(N)n2)C1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL3393542 |
OBDepict
CH
3
NH
N
N
N
H
NH
CH
3
|
Ki |
= |
3.0 |
nM |
249.36 |
CCCCNc1nccc(N2CC[C@@H](NC)C2)n1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL4065099 |
OBDepict
I
O
N
N
H
|
Ki |
= |
3.0 |
nM |
418.28 |
Ic1ccc(C(OCCCc2c[nH]cn2)c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4041923 |
cell-based format |
CHEMBL1770969 |
OBDepict
CH
3
N
H
H
N
H
2
N
N
HN
CH
3
CH
3
|
Ki |
= |
3.0 |
nM |
249.36 |
CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)c2)C1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL199062 |
OBDepict
H
3
C
N
N
O
N
H
S
H
3
C
Cl
|
Ki |
= |
3.0 |
nM |
297.81 |
Cc1c(Cl)sc2cc(C(=O)N3CCN(C)CC3)[nH]c12 |
Homo sapiens |
CHEMBL860282 |
cell-based format |
CHEMBL1770998 |
OBDepict
CH
3
N
N
N
NH
N
H
2
N
H
3
C
CH
3
|
Ki |
= |
3.0 |
nM |
250.35 |
CC(C)Nc1cc(N2CCN(C)CC2)nc(N)n1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL1086105 |
OBDepict
CH
3
O
N
N
H
H
3
C
N
F
N
N
H
|
Ki |
= |
3.3 |
nM |
419.5 |
Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 |
Homo sapiens |
CHEMBL1117989 |
single protein format |
CHEMBL1914547 |
OBDepict
NH
2
N
N
O
NH
2
N
Cl
|
Ki |
= |
3.4 |
nM |
303.75 |
NCC1CN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1914776 |
OBDepict
CH
3
NH
H
N
N
O
NH
2
N
|
Ki |
= |
3.4 |
nM |
283.33 |
CN[C@@H]1CCN(c2nc(N)nc3c2oc2ccccc23)C1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL521996 |
OBDepict
CH
3
HN
H
N
N
NH
2
N
|
Ki |
= |
3.5 |
nM |
309.42 |
CN[C@@H]1CCN(c2nc(N)nc3c2CCCc2ccccc2-3)C1 |
Homo sapiens |
CHEMBL986307 |
cell-based format |
CHEMBL19439 |
OBDepict
NH
2
S
HN
N
N
H
|
Ki |
= |
3.6 |
nM |
170.24 |
N=C(N)SCCc1c[nH]cn1 |
Homo sapiens |
CHEMBL1005955 |
cell-based format |
CHEMBL1914745 |
OBDepict
NH
2
N
N
N
O
N
H
Cl
|
Ki |
= |
3.6 |
nM |
329.79 |
Nc1nc(N2CC3CCNC3C2)c2oc3ccc(Cl)cc3c2n1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL3917992 |
OBDepict
CH
3
N
N
H
N
N
H
3
C
N
N
H
H
3
C
F
|
Ki |
= |
4.0 |
nM |
396.51 |
Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)cc(F)cc2[nH]1 |
Homo sapiens |
CHEMBL3880814 |
cell-based format |
CHEMBL1935572 |
OBDepict
CH
3
N
N
N
NH
2
N
S
|
Ki |
= |
4.0 |
nM |
325.44 |
CN1CCN(c2nc(N)nc3cc(-c4ccsc4)ccc23)CC1 |
Homo sapiens |
CHEMBL1936672 |
cell-based format |
CHEMBL1770979 |
OBDepict
CH
3
HN
H
N
N
NH
N
H
2
N
CH
3
H
3
C
|
Ki |
= |
4.0 |
nM |
264.38 |
CN[C@@H]1CCN(c2cc(NCC(C)C)nc(N)n2)C1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL592379 |
OBDepict
CH
3
N
N
N
N
HN
S
Cl
N
H
O
O
|
Ki |
= |
4.0 |
nM |
460.99 |
CN1CCN(c2nc(NCCS(=O)(=O)Nc3ccccc3)c3cc(Cl)ccc3n2)CC1 |
Homo sapiens |
CHEMBL1936672 |
cell-based format |
CHEMBL3393532 |
OBDepict
CH
3
HN
H
N
N
HN
|
Ki |
= |
4.0 |
nM |
260.38 |
CN[C@@H]1CCN(c2ccnc(NC3CCCC3)c2)C1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL129198 |
OBDepict
CH
3
N
N
O
N
H
Cl
|
Ki |
= |
4.0 |
nM |
277.76 |
CN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 |
Homo sapiens |
CHEMBL700770 |
single protein format |
CHEMBL4098585 |
OBDepict
Br
O
N
N
H
|
Ki |
= |
4.0 |
nM |
421.34 |
Brc1ccc(C(OCCCc2c[nH]cn2)c2ccc3ccccc3c2)cc1 |
Homo sapiens |
CHEMBL4041923 |
cell-based format |
CHEMBL1915537 |
OBDepict
H
3
C
NH
N
N
N
H
N
NH
2
H
3
C
H
3
C
CH
3
|
Ki |
= |
4.6 |
nM |
278.4 |
CNC1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1 |
Homo sapiens |
CHEMBL1920855 |
cell-based format |
CHEMBL1938977 |
OBDepict
H
3
C
N
H
H
N
NH
N
N
H
F
|
Ki |
= |
4.6 |
nM |
287.34 |
CN1C[C@H]2CN(C(=N)c3nc4cc(F)ccc4[nH]3)C[C@H]2C1 |
Homo sapiens |
CHEMBL1943643 |
cell-based format |
CHEMBL1938975 |
OBDepict
CH
3
N
H
H
N
NH
N
N
H
H
3
C
F
|
Ki |
= |
4.6 |
nM |
301.37 |
Cc1c(F)ccc2[nH]c(C(=N)N3C[C@@H]4CN(C)C[C@@H]4C3)nc12 |
Homo sapiens |
CHEMBL1943643 |
cell-based format |
CHEMBL502347 |
OBDepict
NH
2
N
N
N
H
NH
2
|
Ki |
= |
4.7 |
nM |
295.39 |
Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 |
Homo sapiens |
CHEMBL986307 |
cell-based format |
CHEMBL1914746 |
OBDepict
NH
2
N
N
N
O
H
NH
H
Cl
|
Ki |
= |
4.7 |
nM |
343.82 |
Nc1nc(N2C[C@H]3CCCN[C@H]3C2)c2oc3ccc(Cl)cc3c2n1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL3393557 |
OBDepict
CH
3
N
H
H
N
N
N
N
H
|
Ki |
= |
5.0 |
nM |
287.41 |
CN[C@H]1CCN(c2cnnc(NC3CC4CCC3C4)c2)C1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL1935573 |
OBDepict
CH
3
N
N
N
NH
2
N
O
|
Ki |
= |
5.0 |
nM |
309.37 |
CN1CCN(c2nc(N)nc3cc(-c4ccco4)ccc23)CC1 |
Homo sapiens |
CHEMBL1936672 |
cell-based format |
CHEMBL14690 |
OBDepict
NH
N
H
S
N
Cl
N
H
|
Ki |
= |
5.0 |
nM |
308.84 |
N=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1 |
Homo sapiens |
CHEMBL1005955 |
cell-based format |
CHEMBL129436 |
OBDepict
CH
3
N
N
O
N
H
Cl
Cl
|
Ki |
= |
5.0 |
nM |
312.2 |
CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 |
Homo sapiens |
CHEMBL700770 |
single protein format |
CHEMBL3236548 |
OBDepict
CH
3
N
O
N
H
3
C
N
N
H
H
3
C
F
|
Ki |
= |
5.0 |
nM |
410.54 |
Cc1cnc(OCCCCC2CCN(C)CC2)cc1-c1nc2c(C)c(F)ccc2[nH]1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL523225 |
OBDepict
NH
2
N
N
N
NH
F
|
Ki |
= |
5.1 |
nM |
313.38 |
Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2 |
Homo sapiens |
CHEMBL986307 |
cell-based format |
CHEMBL1914792 |
OBDepict
CH
3
NH
H
N
N
S
NH
2
N
Cl
|
Ki |
= |
5.2 |
nM |
333.85 |
CN[C@@H]1CCN(c2nc(N)nc3c2sc2cc(Cl)ccc23)C1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1223749 |
OBDepict
Cl
Cl
N
N
N
H
N
|
Ki |
= |
5.2 |
nM |
429.4 |
Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl |
Homo sapiens |
CHEMBL4041923 |
cell-based format |
CHEMBL1084355 |
OBDepict
CH
3
O
N
N
H
H
3
C
HN
F
N
|
Ki |
= |
5.3 |
nM |
404.49 |
Cc1cc(OCCCNCc2cccnc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 |
Homo sapiens |
CHEMBL1117989 |
single protein format |
CHEMBL1223750 |
OBDepict
F
F
F
N
N
N
H
N
|
Ki |
= |
5.4 |
nM |
428.5 |
FC(F)(F)c1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1 |
Homo sapiens |
CHEMBL4041923 |
cell-based format |
CHEMBL3236558 |
OBDepict
H
2
N
N
N
N
H
2
N
|
Ki |
= |
5.5 |
nM |
233.32 |
Nc1nc(C2CCCC2)cc(N2CC(N)C2)n1 |
Homo sapiens |
CHEMBL3241464 |
cell-based format |
CHEMBL1914548 |
OBDepict
Cl
O
N
NH
2
N
N
H
H
2
N
|
Ki |
= |
5.7 |
nM |
317.78 |
Nc1nc(N2CCC[C@H](N)C2)c2oc3ccc(Cl)cc3c2n1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL260549 |
OBDepict
CH
3
N
N
N
O
N
H
Cl
Cl
|
Ki |
= |
6.0 |
nM |
313.19 |
CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1 |
Homo sapiens |
CHEMBL1936672 |
cell-based format |
CHEMBL1770990 |
OBDepict
CH
3
N
H
H
N
N
H
2
N
N
HN
CH
3
CH
3
|
Ki |
= |
6.0 |
nM |
250.35 |
CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)n2)C1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL1935450 |
OBDepict
NH
2
N
N
N
O
H
NH
H
|
Ki |
= |
6.0 |
nM |
327.43 |
Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@H]2CCCC[C@H]2O1 |
Homo sapiens |
CHEMBL1936672 |
cell-based format |
CHEMBL1770959 |
OBDepict
CH
3
HN
H
N
N
NH
2
N
HN
|
Ki |
= |
6.0 |
nM |
276.39 |
CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)n2)C1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL213912 |
OBDepict
H
3
C
N
N
N
O
Cl
|
Ki |
= |
6.0 |
nM |
327.82 |
CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 |
Homo sapiens |
CHEMBL1936672 |
cell-based format |
CHEMBL505061 |
OBDepict
CH
3
N
N
N
N
N
NH
2
|
Ki |
= |
6.0 |
nM |
262.36 |
CN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1 |
Homo sapiens |
CHEMBL1772151 |
single protein format |
CHEMBL3393553 |
OBDepict
CH
3
HN
H
N
N
N
HN
|
Ki |
= |
6.0 |
nM |
261.37 |
CN[C@@H]1CCN(c2cnnc(NC3CCCC3)c2)C1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL1935571 |
OBDepict
CH
3
N
N
N
NH
2
N
O
|
Ki |
= |
6.0 |
nM |
309.37 |
CN1CCN(c2nc(N)nc3cc(-c4ccoc4)ccc23)CC1 |
Homo sapiens |
CHEMBL1936672 |
cell-based format |
CHEMBL3393535 |
OBDepict
CH
3
N
H
H
N
N
N
H
|
Ki |
= |
6.0 |
nM |
286.42 |
CN[C@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL3354815 |
OBDepict
CH
3
HN
H
N
N
N
HN
CH
3
H
3
C
|
Ki |
= |
6.0 |
nM |
235.34 |
CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1 |
Homo sapiens |
CHEMBL3388263 |
single protein format |
CHEMBL1938979 |
OBDepict
CH
3
N
H
H
N
HN
N
N
H
|
Ki |
= |
6.5 |
nM |
269.35 |
CN1C[C@H]2CN(C(=N)c3nc4ccccc4[nH]3)C[C@H]2C1 |
Homo sapiens |
CHEMBL1943643 |
cell-based format |
CHEMBL129488 |
OBDepict
H
3
C
N
N
O
N
H
CH
3
|
Ki |
= |
7.0 |
nM |
257.34 |
Cc1cccc2cc(C(=O)N3CCN(C)CC3)[nH]c12 |
Homo sapiens |
CHEMBL700770 |
single protein format |
CHEMBL120591 |
OBDepict
H
3
C
N
N
O
N
N
H
CH
3
F
|
Ki |
= |
7.0 |
nM |
276.31 |
Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)nc12 |
Homo sapiens |
CHEMBL860282 |
cell-based format |
CHEMBL3393529 |
OBDepict
H
3
C
N
H
N
N
H
N
H
CH
3
|
Ki |
= |
7.0 |
nM |
248.37 |
CCCCNc1cc(N2CC[C@@H](NC)C2)ccn1 |
Homo sapiens |
CHEMBL3396057 |
single protein format |
CHEMBL213886 |
OBDepict
Cl
N
H
H
H
N
N
H
|
Ki |
= |
7.6 |
nM |
275.78 |
Clc1ccc(CNCC[C@@H]2C[C@H]2c2c[nH]cn2)cc1 |
Homo sapiens |
CHEMBL912691 |
single protein format |
CHEMBL1914774 |
OBDepict
NH
2
N
N
N
O
Cl
NH
Cl
|
Ki |
= |
7.7 |
nM |
338.2 |
Nc1nc(N2CCNCC2)c2oc3ccc(Cl)c(Cl)c3c2n1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL1914757 |
OBDepict
CH
3
N
N
N
O
NH
2
N
Cl
Cl
|
Ki |
= |
7.7 |
nM |
352.23 |
CN1CCN(c2nc(N)nc3c2oc2ccc(Cl)c(Cl)c23)CC1 |
Homo sapiens |
CHEMBL1919838 |
single protein format |
CHEMBL498770 |
OBDepict
I
N
S
H
2
N
N
N
H
|
Ki |
= |
7.8 |
nM |
414.32 |
N/C(=N/CCc1ccc(I)cc1)SCCCc1cnc[nH]1 |
Homo sapiens |
CHEMBL1005955 |
cell-based format |