molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL203637 |
|
Ki |
= |
0.057 |
nM |
301.82 |
CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1 |
Homo sapiens |
CHEMBL861438 |
single protein format |
CHEMBL1814790 |
OBDepict
CH
3
N
H
Cl
HO
OH
O
O
OH
|
IC50 |
= |
0.15 |
nM |
403.86 |
CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.O=C(O)/C=CC(=O)O |
Homo sapiens |
CHEMBL2395016 |
single protein format |
CHEMBL1814790 |
OBDepict
CH
3
N
H
Cl
HO
OH
O
O
OH
|
Ki |
= |
0.17 |
nM |
403.86 |
CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.O=C(O)/C=CC(=O)O |
Homo sapiens |
CHEMBL2395696 |
single protein format |
CHEMBL245764 |
OBDepict
CH
3
O
N
H
3
C
N
CH
3
|
Ki |
= |
0.23 |
nM |
334.46 |
COc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1 |
Homo sapiens |
CHEMBL885890 |
cell-based format |
CHEMBL245570 |
OBDepict
CH
3
N
N
H
HO
|
Ki |
= |
0.39 |
nM |
306.41 |
CN1CCc2ccccc2Cc2[nH]c3ccc(O)cc3c2CC1 |
Homo sapiens |
CHEMBL885890 |
cell-based format |
CHEMBL13668 |
OBDepict
H
3
C
N
Cl
HO
|
IC50 |
= |
0.56 |
nM |
287.79 |
CN1CCc2cc(Cl)c(O)cc2C(c2ccccc2)C1 |
Homo sapiens |
CHEMBL3779716 |
cell-based format |
CHEMBL184050 |
OBDepict
H
3
C
N
O
HO
|
Ki |
= |
0.57 |
nM |
283.37 |
CN1CCOc2cc(O)ccc2Cc2ccccc2CC1 |
Homo sapiens |
CHEMBL839546 |
single protein format |
CHEMBL216258 |
OBDepict
H
3
C
N
N
H
|
Ki |
= |
0.61 |
nM |
304.44 |
CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1 |
Homo sapiens |
CHEMBL912403 |
cell-based format |
CHEMBL380464 |
OBDepict
CH
3
N
Cl
HO
|
Ki |
= |
0.98 |
nM |
301.82 |
CN1CCc2ccccc2Cc2c(ccc(O)c2Cl)CC1 |
Homo sapiens |
CHEMBL861438 |
single protein format |
CHEMBL62 |
OBDepict
CH
3
N
H
Cl
HO
|
IC50 |
= |
1.1 |
nM |
287.79 |
CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 |
Homo sapiens |
CHEMBL953140 |
single protein format |
CHEMBL599487 |
OBDepict
H
3
C
N
H
Cl
OH
N
S
H
3
C
O
O
|
Ki |
= |
1.2 |
nM |
471.02 |
CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1 |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL604314 |
OBDepict
H
3
C
N
H
H
Cl
HO
HO
|
Ki |
= |
1.4 |
nM |
329.83 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(O)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL201170 |
OBDepict
CH
3
N
OH
|
Ki |
= |
1.5 |
nM |
267.37 |
CN1CCc2ccccc2Cc2ccc(O)cc2CC1 |
Homo sapiens |
CHEMBL861438 |
single protein format |
CHEMBL1204122 |
OBDepict
CH
3
N
HO
BrH
|
Ki |
= |
1.5 |
nM |
348.28 |
Br.CN1CCc2ccccc2Cc2ccc(O)cc2CC1 |
Homo sapiens |
CHEMBL858784 |
cell-based format |
CHEMBL381936 |
OBDepict
CH
3
N
HO
OH
|
Ki |
= |
1.68 |
nM |
283.37 |
CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1 |
Homo sapiens |
CHEMBL861438 |
single protein format |
CHEMBL184049 |
OBDepict
CH
3
O
O
N
H
3
C
|
Ki |
= |
1.8 |
nM |
297.4 |
COc1ccc2c(c1)OCCN(C)CCc1ccccc1C2 |
Homo sapiens |
CHEMBL839546 |
single protein format |
CHEMBL597900 |
OBDepict
H
3
C
N
H
H
Cl
HO
S
|
Ki |
= |
1.9 |
nM |
395.95 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccs4)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL3753266 |
OBDepict
CH
3
N
S
|
Ki |
= |
1.9 |
nM |
307.46 |
CN1CCc2ccccc2Cc2sc3ccccc3c2CC1 |
Homo sapiens |
CHEMBL3757882 |
single protein format |
CHEMBL298406 |
OBDepict
H
3
C
N
H
H
Cl
HO
|
Ki |
= |
2.0 |
nM |
313.83 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21 |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL605354 |
OBDepict
CH
3
N
H
H
Cl
HO
N
O
|
Ki |
= |
2.1 |
nM |
432.95 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/Oc4ccccc4)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL599135 |
OBDepict
H
3
C
N
H
H
Cl
OH
N
O
|
Ki |
= |
2.5 |
nM |
446.98 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/OCc4ccccc4)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL1087300 |
OBDepict
CH
3
N
N
H
|
Ki |
= |
2.5 |
nM |
290.41 |
CN1CCc2ccccc2Cc2c[nH]c3cccc(c23)CC1 |
Homo sapiens |
CHEMBL1105128 |
cell-based format |
CHEMBL3752512 |
OBDepict
H
3
C
N
S
|
Ki |
= |
3.0 |
nM |
257.4 |
CN1CCc2ccccc2Cc2sccc2CC1 |
Homo sapiens |
CHEMBL3757882 |
single protein format |
CHEMBL604732 |
OBDepict
HO
N
H
H
N
H
3
C
HO
Cl
|
Ki |
= |
3.3 |
nM |
356.85 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(/C=N/O)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL603485 |
OBDepict
CH
3
O
HN
O
H
H
N
H
3
C
HO
Cl
|
Ki |
= |
3.3 |
nM |
400.91 |
CCOC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL604316 |
OBDepict
O
H
H
N
H
3
C
HO
Cl
|
Ki |
= |
3.3 |
nM |
341.84 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C=O)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL598105 |
OBDepict
N
H
H
N
H
3
C
HO
Cl
|
Ki |
= |
3.4 |
nM |
414.94 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(C#N)c4)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL396560 |
OBDepict
CH
3
O
N
H
N
CH
3
|
Ki |
= |
3.6 |
nM |
320.44 |
COc1ccc2[nH]c3c(c2c1)CCN(C)CCc1ccccc1C3 |
Homo sapiens |
CHEMBL885890 |
cell-based format |
CHEMBL598730 |
OBDepict
CH
3
O
O
H
H
N
CH
3
OH
Cl
|
Ki |
= |
3.7 |
nM |
371.86 |
COC(=O)c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL596622 |
OBDepict
H
3
C
N
H
Cl
OH
NH
|
Ki |
= |
3.9 |
nM |
370.92 |
CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CNC3CCC3)cc2)C1 |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL324017 |
OBDepict
H
3
C
N
Br
HO
|
Ki |
= |
3.95 |
nM |
332.24 |
CN1CCc2cc(Br)c(O)cc2C(c2ccccc2)C1 |
Homo sapiens |
CHEMBL4625242 |
single protein format |
CHEMBL487387 |
OBDepict
CH
3
O
OH
N
H
O
H
3
C
HO
|
Ki |
= |
4.4 |
nM |
327.38 |
COc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2 |
Homo sapiens |
CHEMBL1038856 |
cell-based format |
CHEMBL1949725 |
OBDepict
H
N
H
CH
3
N
CH
3
|
Ki |
= |
4.4 |
nM |
304.44 |
C[C@H]1Cc2c([nH]c3ccccc23)Cc2ccccc2CCN1C |
Homo sapiens |
CHEMBL1954780 |
cell-based format |
CHEMBL276778 |
OBDepict
CH
3
O
N
H
3
C
|
Ki |
= |
4.6 |
nM |
295.43 |
COc1ccc2c(c1)CCN(C)CCCc1ccccc1C2 |
Homo sapiens |
CHEMBL895727 |
cell-based format |
CHEMBL605339 |
OBDepict
OH
Cl
H
H
N
CH
3
+
N
O
_
O
|
Ki |
= |
4.7 |
nM |
434.92 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc([N+](=O)[O-])c4)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL203047 |
OBDepict
CH
3
N
Cl
HO
|
Ki |
= |
4.9 |
nM |
301.82 |
CN1CCc2ccccc2Cc2cc(O)c(Cl)cc2CC1 |
Homo sapiens |
CHEMBL861438 |
single protein format |
CHEMBL245571 |
OBDepict
CH
3
N
N
OH
H
|
Ki |
= |
5.4 |
nM |
306.41 |
CN1CCc2cc(O)ccc2Cc2[nH]c3ccccc3c2CC1 |
Homo sapiens |
CHEMBL885890 |
cell-based format |
CHEMBL600986 |
OBDepict
CH
3
S
NH
O
O
H
H
N
CH
3
OH
Cl
|
Ki |
= |
5.6 |
nM |
420.96 |
CCS(=O)(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL282116 |
OBDepict
OH
O
O
OH
CH
3
O
N
H
N
H
O
Cl
O
H
N
O
CH
3
|
Ki |
= |
5.62 |
nM |
547.99 |
COc1cccc(CN2CC[C@H](NC(=O)c3cc(Cl)c(NC(=O)C4CC4)cc3OC)C2)c1.O=C(O)C(=O)O |
Homo sapiens |
CHEMBL675991 |
single protein format |
CHEMBL597909 |
OBDepict
H
3
C
N
H
H
Cl
OH
N
H
S
O
O
CH
3
|
Ki |
= |
5.8 |
nM |
406.94 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NS(C)(=O)=O)cc3CC[C@@H]21 |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL599282 |
OBDepict
CH
3
N
H
Cl
HO
N
S
O
O
CH
3
|
Ki |
= |
5.9 |
nM |
449.02 |
CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C3CCC3)S(C)(=O)=O)cc2)C1 |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL603872 |
OBDepict
CH
3
O
H
H
N
CH
3
OH
Cl
|
Ki |
= |
6.2 |
nM |
419.95 |
COc1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CCN2C)cc1 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL591685 |
OBDepict
H
3
C
N
H
H
Cl
H
2
N
HO
|
Ki |
= |
7.0 |
nM |
328.84 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL213492 |
OBDepict
CH
3
N
N
N
N
N
H
Cl
O
F
F
F
F
|
Ki |
= |
7.0 |
nM |
531.94 |
CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1 |
Homo sapiens |
CHEMBL870479 |
single protein format |
CHEMBL217299 |
OBDepict
OH
OH
O
N
H
|
Ki |
= |
7.0 |
nM |
269.3 |
Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2 |
Homo sapiens |
CHEMBL855594 |
single protein format |
CHEMBL600987 |
OBDepict
CH
3
HN
HN
O
H
H
N
H
3
C
HO
Cl
|
Ki |
= |
7.1 |
nM |
399.92 |
CCNC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL599116 |
OBDepict
OH
H
H
N
H
3
C
HO
Cl
|
Ki |
= |
7.4 |
nM |
343.85 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(CO)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL600083 |
OBDepict
H
3
C
N
H
H
Cl
Br
HO
|
Ki |
= |
7.5 |
nM |
392.72 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(Br)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL441618 |
OBDepict
CH
3
N
N
H
|
Ki |
= |
7.5 |
nM |
290.41 |
CN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 |
Homo sapiens |
CHEMBL861438 |
single protein format |
CHEMBL62 |
OBDepict
CH
3
N
H
Cl
HO
|
Ki |
= |
8.1 |
nM |
287.79 |
CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 |
Homo sapiens |
CHEMBL839015 |
assay format |
CHEMBL598515 |
OBDepict
NH
2
H
H
N
CH
3
OH
Cl
|
Ki |
= |
8.3 |
nM |
328.84 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(N)cc3CC[C@@H]21 |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL908 |
OBDepict
CH
3
N
CH
3
S
Cl
|
Ki |
= |
9.0 |
nM |
315.87 |
CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21 |
Homo sapiens |
CHEMBL1030599 |
cell-based format |
CHEMBL2334891 |
OBDepict
CH
3
O
OH
N
H
O
H
3
C
O
CH
3
|
Ki |
= |
9.5 |
nM |
341.41 |
COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 |
Homo sapiens |
CHEMBL3999647 |
cell-based format |
CHEMBL231070 |
OBDepict
CH
3
N
HO
|
Ki |
= |
9.8 |
nM |
281.4 |
CN1CCCc2ccccc2Cc2ccc(O)cc2CC1 |
Homo sapiens |
CHEMBL895727 |
cell-based format |
CHEMBL604525 |
OBDepict
CH
3
O
N
H
H
N
CH
3
OH
Cl
|
Ki |
= |
10.0 |
nM |
384.91 |
CCO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL1087301 |
OBDepict
CH
3
N
N
H
|
Ki |
= |
10.3 |
nM |
290.41 |
CN1CCc2ccccc2Cc2c([nH]c3ccccc23)CC1 |
Homo sapiens |
CHEMBL1105128 |
cell-based format |
CHEMBL605127 |
OBDepict
CH
3
N
H
H
Cl
OH
N
|
Ki |
= |
10.5 |
nM |
390.91 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccncc4)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL201525 |
OBDepict
CH
3
N
|
Ki |
= |
11.2 |
nM |
251.37 |
CN1CCc2ccccc2Cc2ccccc2CC1 |
Homo sapiens |
CHEMBL858784 |
cell-based format |
CHEMBL1949728 |
OBDepict
HO
H
N
CH
3
N
H
|
Ki |
= |
11.4 |
nM |
320.44 |
CN1CCc2ccccc2Cc2[nH]c3ccccc3c2C[C@@H]1CO |
Homo sapiens |
CHEMBL1954780 |
cell-based format |
CHEMBL204065 |
OBDepict
CH
3
O
N
H
3
C
O
CH
3
|
Ki |
= |
12.6 |
nM |
311.43 |
COc1ccc2c(c1)CCN(C)CCc1cc(OC)ccc1C2 |
Homo sapiens |
CHEMBL861438 |
single protein format |
CHEMBL596824 |
OBDepict
CH
3
N
H
Cl
OH
N
O
CH
3
|
Ki |
= |
13.0 |
nM |
412.96 |
CC(=O)N(Cc1ccc([C@H]2CN(C)CCc3cc(Cl)c(O)cc32)cc1)C1CCC1 |
Homo sapiens |
CHEMBL1073808 |
single protein format |
CHEMBL382850 |
OBDepict
CH
3
N
N
H
|
Ki |
= |
14.7 |
nM |
304.44 |
CCN1CCc2ccccc2Cc2[nH]c3ccccc3c2CC1 |
Homo sapiens |
CHEMBL858784 |
cell-based format |
CHEMBL53 |
OBDepict
CH
3
N
H
HO
HO
|
Ki |
= |
15.0 |
nM |
267.33 |
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 |
Homo sapiens |
CHEMBL4628392 |
cell-based format |
CHEMBL1457510 |
OBDepict
CH
3
O
OH
N
H
O
O
|
Ki |
= |
15.1 |
nM |
325.36 |
COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 |
Homo sapiens |
CHEMBL3999642 |
single protein format |
CHEMBL2204343 |
OBDepict
F
O
N
Si
HO
Cl
|
Ki |
= |
16.6 |
nM |
391.95 |
O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL2208719 |
single protein format |
CHEMBL389356 |
OBDepict
H
3
C
N
HO
|
Ki |
= |
17.0 |
nM |
281.4 |
CN1CCCc2cc(O)ccc2Cc2ccccc2CC1 |
Homo sapiens |
CHEMBL895727 |
cell-based format |
CHEMBL726 |
OBDepict
OH
N
N
N
S
F
F
F
|
Ki |
= |
21.0 |
nM |
437.53 |
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 |
Homo sapiens |
CHEMBL1030599 |
cell-based format |
CHEMBL599134 |
OBDepict
CH
3
O
N
H
H
N
CH
3
OH
Cl
|
Ki |
= |
22.0 |
nM |
370.88 |
CO/N=C/c1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL4640497 |
OBDepict
CH
3
O
HO
N
H
Cl
Cl
|
Ki |
= |
25.4 |
nM |
338.23 |
COc1cc2c(cc1O)C(c1c(Cl)cccc1Cl)CNCC2 |
Homo sapiens |
CHEMBL4625242 |
single protein format |
CHEMBL598949 |
OBDepict
H
3
C
N
H
H
Cl
N
HO
O
|
Ki |
= |
26.9 |
nM |
396.92 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N4CCCC4=O)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |
CHEMBL4466483 |
OBDepict
F
F
F
O
N
N
N
S
|
Ki |
= |
27.0 |
nM |
411.41 |
FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 |
Homo sapiens |
CHEMBL4392133 |
cell-based format |
CHEMBL213336 |
OBDepict
CH
3
N
N
N
N
N
H
Cl
O
CH
3
CH
3
|
Ki |
= |
31.0 |
nM |
474.01 |
Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 |
Homo sapiens |
CHEMBL870479 |
single protein format |
CHEMBL396561 |
OBDepict
CH
3
O
N
N
CH
3
H
|
Ki |
= |
31.5 |
nM |
320.44 |
COc1ccc2c(c1)CCN(C)CCc1c([nH]c3ccccc13)C2 |
Homo sapiens |
CHEMBL885890 |
cell-based format |
CHEMBL240995 |
OBDepict
Cl
N
N
N
O
|
Ki |
= |
33.6 |
nM |
383.92 |
O=C1c2ccccc2CN1CCCCN1CCN(c2ccc(Cl)cc2)CC1 |
Homo sapiens |
CHEMBL898622 |
assay format |
CHEMBL4277264 |
OBDepict
CH
3
O
N
H
3
C
N
N
N
O
|
Ki |
= |
38.0 |
nM |
356.39 |
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |
Homo sapiens |
CHEMBL4392133 |
cell-based format |
CHEMBL425069 |
OBDepict
H
3
C
O
N
H
O
O
N
CH
3
N
N
Cl
N
H
3
C
|
Ki |
= |
38.0 |
nM |
506.01 |
COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 |
Homo sapiens |
CHEMBL870479 |
single protein format |
CHEMBL593897 |
OBDepict
HO
N
|
Ki |
= |
41.1 |
nM |
251.33 |
Oc1ccc2c(c1)CCN1Cc3ccccc3CC21 |
Homo sapiens |
CHEMBL1038856 |
cell-based format |
CHEMBL382010 |
OBDepict
CH
3
N
HO
|
Ki |
= |
42.3 |
nM |
267.37 |
CN1CCc2ccccc2Cc2cc(O)ccc2CC1 |
Homo sapiens |
CHEMBL861438 |
single protein format |
CHEMBL364565 |
OBDepict
N
O
|
Ki |
= |
43.0 |
nM |
295.43 |
c1ccc(Cc2ccccc2OCCN2CCCCC2)cc1 |
Homo sapiens |
CHEMBL839546 |
single protein format |
CHEMBL4643069 |
OBDepict
CH
3
O
HO
N
H
3
C
Cl
|
Ki |
= |
46.4 |
nM |
317.82 |
COc1cc2c(cc1O)C(c1ccccc1Cl)CN(C)CC2 |
Homo sapiens |
CHEMBL4625242 |
single protein format |
CHEMBL4469848 |
OBDepict
F
F
F
O
N
N
N
O
|
Ki |
= |
47.0 |
nM |
395.34 |
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 |
Homo sapiens |
CHEMBL4392133 |
cell-based format |
CHEMBL4643426 |
OBDepict
CH
3
O
HO
N
H
3
C
Br
|
Ki |
= |
47.0 |
nM |
362.27 |
COc1cc2c(cc1O)C(c1ccccc1Br)CN(C)CC2 |
Homo sapiens |
CHEMBL4625242 |
single protein format |
CHEMBL4633950 |
OBDepict
CH
3
O
HO
N
H
3
C
Cl
Cl
|
Ki |
= |
49.1 |
nM |
352.26 |
COc1cc2c(cc1O)C(c1c(Cl)cccc1Cl)CN(C)CC2 |
Homo sapiens |
CHEMBL4625242 |
single protein format |
CHEMBL378669 |
OBDepict
CH
3
N
N
N
N
N
H
Cl
O
NH
2
Cl
|
Ki |
= |
53.0 |
nM |
495.41 |
CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3Cl)c3ccccc32)CC1 |
Homo sapiens |
CHEMBL870479 |
single protein format |
CHEMBL231171 |
OBDepict
CH
3
O
N
CH
3
|
Ki |
= |
53.0 |
nM |
309.45 |
COc1ccc2c(c1)CCCN(C)CCCc1ccccc1C2 |
Homo sapiens |
CHEMBL895727 |
cell-based format |
CHEMBL380330 |
OBDepict
CH
3
O
N
H
3
C
|
Ki |
= |
54.0 |
nM |
281.4 |
COc1ccc2c(c1)CCN(C)CCc1ccccc1C2 |
Homo sapiens |
CHEMBL895727 |
cell-based format |
CHEMBL389357 |
OBDepict
CH
3
O
N
H
3
C
|
Ki |
= |
55.0 |
nM |
295.43 |
COc1ccc2c(c1)CCCN(C)CCc1ccccc1C2 |
Homo sapiens |
CHEMBL895727 |
cell-based format |
CHEMBL213424 |
OBDepict
CH
3
N
N
N
N
N
H
Cl
O
CH
3
NH
2
|
Ki |
= |
58.0 |
nM |
475.0 |
Cc1cccc(N)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 |
Homo sapiens |
CHEMBL870479 |
single protein format |
CHEMBL490533 |
OBDepict
CH
3
O
O
CH
3
N
H
O
O
|
Ki |
= |
62.1 |
nM |
339.39 |
COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 |
Homo sapiens |
CHEMBL3999642 |
single protein format |
CHEMBL4635277 |
OBDepict
Br
N
H
HO
OH
|
Ki |
= |
67.0 |
nM |
334.21 |
Oc1cc2c(cc1O)C(c1ccccc1Br)CNCC2 |
Homo sapiens |
CHEMBL4625242 |
single protein format |
CHEMBL394779 |
OBDepict
H
3
C
N
OH
|
Ki |
= |
69.0 |
nM |
281.4 |
CN1CCCc2ccccc2Cc2cc(O)ccc2CC1 |
Homo sapiens |
CHEMBL895727 |
cell-based format |
CHEMBL212912 |
OBDepict
CH
3
N
N
N
N
N
H
Cl
O
Cl
|
Ki |
= |
73.0 |
nM |
480.4 |
CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 |
Homo sapiens |
CHEMBL870479 |
single protein format |
CHEMBL231374 |
OBDepict
H
3
C
O
N
CH
3
|
Ki |
= |
75.0 |
nM |
295.43 |
COc1ccc2c(c1)Cc1ccccc1CCCN(C)CC2 |
Homo sapiens |
CHEMBL895727 |
cell-based format |
CHEMBL393492 |
OBDepict
CH
3
O
N
N
N
O
|
Ki |
= |
75.4 |
nM |
379.5 |
COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1 |
Homo sapiens |
CHEMBL898622 |
assay format |
CHEMBL201093 |
OBDepict
H
3
C
N
S
|
Ki |
= |
79.1 |
nM |
257.4 |
CN1CCc2ccccc2Cc2ccsc2CC1 |
Homo sapiens |
CHEMBL858784 |
cell-based format |
CHEMBL240774 |
OBDepict
O
N
N
N
|
Ki |
= |
80.0 |
nM |
349.48 |
O=C1c2ccccc2CN1CCCCN1CCN(c2ccccc2)CC1 |
Homo sapiens |
CHEMBL898622 |
assay format |
CHEMBL240996 |
OBDepict
O
N
N
N
F
F
F
|
Ki |
= |
80.8 |
nM |
417.48 |
O=C1c2ccccc2CN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 |
Homo sapiens |
CHEMBL898622 |
assay format |
CHEMBL4572614 |
OBDepict
CH
3
N
N
N
F
F
F
O
N
O
|
Ki |
= |
82.0 |
nM |
410.36 |
Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |
Homo sapiens |
CHEMBL4392133 |
cell-based format |
CHEMBL4636741 |
OBDepict
CH
3
O
HO
N
H
Br
|
Ki |
= |
82.0 |
nM |
348.24 |
COc1cc2c(cc1O)C(c1ccccc1Br)CNCC2 |
Homo sapiens |
CHEMBL4625242 |
single protein format |
CHEMBL604127 |
OBDepict
N
H
H
N
H
3
C
HO
Cl
|
Ki |
= |
89.0 |
nM |
338.84 |
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(C#N)c3CC[C@@H]21 |
Homo sapiens |
CHEMBL1074770 |
cell-based format |