molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL149024 |
|
Ki |
= |
0.02 |
nM |
294.15 |
CC(N)Cc1c2ccoc2c(Br)c2ccoc12 |
Homo sapiens |
CHEMBL617907 |
single protein format |
CHEMBL261476 |
OBDepict
H
H
2
N
CH
3
N
N
O
|
Ki |
= |
0.2 |
nM |
215.26 |
C[C@H](N)Cn1ncc2ccc3occc3c21 |
Homo sapiens |
CHEMBL921962 |
cell-based format |
CHEMBL408579 |
OBDepict
CH
3
O
N
N
NH
2
H
3
C
H
|
Ki |
= |
0.2 |
nM |
229.28 |
Cc1cc2c(ccc3cnn(C[C@H](C)N)c32)o1 |
Homo sapiens |
CHEMBL921962 |
cell-based format |
CHEMBL193639 |
OBDepict
F
S
H
O
H
N
CH
3
H
3
C
|
Ki |
= |
0.21 |
nM |
329.44 |
CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 |
Homo sapiens |
CHEMBL829975 |
single protein format |
CHEMBL101008 |
OBDepict
CH
3
NH
2
O
O
Br
|
Ki |
= |
0.3 |
nM |
298.18 |
CC(N)Cc1c2c(c(Br)c3c1OCC3)OCC2 |
Homo sapiens |
CHEMBL617907 |
single protein format |
CHEMBL190699 |
OBDepict
CH
3
Cl
N
H
H
3
C
H
HN
|
Ki |
= |
0.3 |
nM |
236.75 |
Cc1c(Cl)ccc2c1N1[C@H](C)CNC[C@H]1C2 |
Homo sapiens |
CHEMBL828759 |
single protein format |
CHEMBL14563 |
OBDepict
O
N
N
H
N
Cl
CH
3
O
CH
3
N
|
IC50 |
= |
0.33 |
nM |
394.86 |
Cc1cc2c(cc1Cl)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 |
Homo sapiens |
CHEMBL4625518 |
cell-based format |
CHEMBL516452 |
OBDepict
Cl
N
O
N
N
H
O
N
H
|
IC50 |
= |
0.5 |
nM |
364.79 |
O=C(Nc1ccc(Oc2cccnc2Cl)nc1)c1c[nH]c2ccccc12 |
Homo sapiens |
CHEMBL988364 |
cell-based format |
CHEMBL19215 |
OBDepict
O
O
N
H
H
N
CH
3
H
H
N
CH
3
|
Ki |
= |
0.5 |
nM |
403.53 |
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 |
Homo sapiens |
CHEMBL616819 |
single protein format |
CHEMBL262092 |
OBDepict
CH
3
O
N
N
H
2
N
CH
3
H
O
|
Ki |
= |
0.51 |
nM |
245.28 |
COc1nn(C[C@H](C)N)c2c1ccc1occc12 |
Homo sapiens |
CHEMBL921962 |
cell-based format |
CHEMBL1818901 |
OBDepict
F
HN
O
N
|
IC50 |
= |
0.53 |
nM |
426.54 |
O=C(Nc1ccc2c(c1)CCC(CN1CCCC1)=C2)c1ccc(-c2ccc(F)cc2)cc1 |
Homo sapiens |
CHEMBL2033454 |
cell-based format |
CHEMBL64249 |
OBDepict
H
3
C
N
N
S
Cl
|
Ki |
= |
0.57 |
nM |
344.91 |
CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 |
Homo sapiens |
CHEMBL1261590 |
cell-based format |
CHEMBL2165126 |
OBDepict
O
HN
O
N
N
Cl
Cl
|
Ki |
= |
0.6 |
nM |
462.42 |
O=C1CCc2ccc(OCCCCN3CCCN(c4cccc(Cl)c4Cl)CC3)cc2N1 |
Homo sapiens |
CHEMBL2168907 |
single protein format |
CHEMBL594251 |
OBDepict
Cl
O
H
N
N
H
H
3
C
NH
|
Ki |
= |
0.6 |
nM |
343.86 |
C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](Oc1ccccc1Cl)CC2 |
Homo sapiens |
CHEMBL1069948 |
cell-based format |
CHEMBL2165137 |
OBDepict
Cl
Cl
N
O
N
S
|
Ki |
= |
0.6 |
nM |
435.42 |
Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl |
Homo sapiens |
CHEMBL2168907 |
single protein format |
CHEMBL4639090 |
OBDepict
CH
3
N
Br
N
H
|
Ki |
= |
0.6 |
nM |
267.17 |
CC1CN2CCNCc3ccc(Br)c1c32 |
Homo sapiens |
CHEMBL4617352 |
single protein format |
CHEMBL363581 |
OBDepict
F
S
H
O
H
N
CH
3
H
3
C
|
Ki |
= |
0.65 |
nM |
329.44 |
CN(C)C[C@@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 |
Homo sapiens |
CHEMBL829975 |
single protein format |
CHEMBL19215 |
OBDepict
O
O
N
H
H
N
CH
3
H
H
N
CH
3
|
IC50 |
= |
0.663 |
nM |
403.53 |
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 |
Homo sapiens |
CHEMBL1909105 |
cell membrane format |
CHEMBL14460 |
OBDepict
O
N
N
H
N
CH
3
F
F
F
O
CH
3
N
|
IC50 |
= |
0.7 |
nM |
428.41 |
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 |
Homo sapiens |
CHEMBL988364 |
cell-based format |
CHEMBL4634942 |
OBDepict
CH
3
N
Cl
N
H
|
Ki |
= |
0.8 |
nM |
222.72 |
CC1CN2CCNCc3ccc(Cl)c1c32 |
Homo sapiens |
CHEMBL4617352 |
single protein format |
CHEMBL4646572 |
OBDepict
Br
N
N
H
F
F
F
|
Ki |
= |
0.8 |
nM |
335.17 |
FC(F)(F)CC1CN2CCNCc3ccc(Br)c1c32 |
Homo sapiens |
CHEMBL4617352 |
single protein format |
CHEMBL203393 |
OBDepict
Br
N
N
H
CH
3
H
NH
|
Ki |
= |
0.8 |
nM |
268.16 |
C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12 |
Homo sapiens |
CHEMBL861244 |
cell-based format |
CHEMBL575849 |
OBDepict
H
3
C
O
N
N
NH
2
H
3
C
H
|
Ki |
= |
0.89 |
nM |
243.31 |
CCc1cc2c(ccc3cnn(C[C@@H](C)N)c32)o1 |
Homo sapiens |
CHEMBL1040388 |
single protein format |
CHEMBL407909 |
OBDepict
H
3
C
O
N
N
NH
2
H
3
C
H
|
Ki |
= |
0.89 |
nM |
243.31 |
CCc1cc2c(ccc3cnn(C[C@H](C)N)c32)o1 |
Homo sapiens |
CHEMBL921962 |
cell-based format |
CHEMBL4636977 |
OBDepict
Br
N
H
3
C
H
3
C
N
H
|
Ki |
= |
0.9 |
nM |
281.2 |
CC1(C)CN2CCNCc3ccc(Br)c1c32 |
Homo sapiens |
CHEMBL4617352 |
single protein format |
CHEMBL1091105 |
OBDepict
H
3
C
O
O
NH
F
O
H
N
H
CH
3
H
3
C
|
Ki |
= |
0.9 |
nM |
378.49 |
COc1cc(OC2CCC(C)(C)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |
Homo sapiens |
CHEMBL1115172 |
single protein format |
CHEMBL329566 |
OBDepict
CH
3
N
H
3
C
H
O
H
H
|
Ki |
= |
0.93 |
nM |
293.41 |
CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3[C@H]2O1 |
Homo sapiens |
CHEMBL617894 |
cell-based format |
CHEMBL328573 |
OBDepict
H
3
C
N
CH
3
H
O
N
H
|
Ki |
= |
1.0 |
nM |
294.4 |
CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1 |
Homo sapiens |
CHEMBL617894 |
cell-based format |
CHEMBL149564 |
OBDepict
NH
2
H
3
C
N
H
O
H
3
C
|
Ki |
= |
1.0 |
nM |
204.27 |
COc1ccc2[nH]cc(C(C)CN)c2c1 |
Homo sapiens |
CHEMBL617908 |
single protein format |
CHEMBL574985 |
OBDepict
F
Cl
N
H
2
N
H
3
C
H
|
Ki |
= |
1.0 |
nM |
226.68 |
C[C@@H](N)Cn1ccc2cc(F)c(Cl)cc21 |
Homo sapiens |
CHEMBL1040388 |
single protein format |
CHEMBL83894 |
OBDepict
F
N
N
N
S
O
O
|
Ki |
= |
1.0 |
nM |
425.53 |
O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1 |
Homo sapiens |
CHEMBL620617 |
cell-based format |
CHEMBL197653 |
OBDepict
H
H
2
N
H
3
C
N
N
F
OH
|
Ki |
= |
1.0 |
nM |
209.22 |
C[C@H](N)Cn1ncc2ccc(O)c(F)c21 |
Homo sapiens |
CHEMBL863544 |
cell-based format |
CHEMBL494947 |
OBDepict
Cl
O
N
N
N
HN
|
Ki |
= |
1.0 |
nM |
304.78 |
Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 |
Homo sapiens |
CHEMBL1040388 |
single protein format |
CHEMBL6437 |
OBDepict
CH
3
N
N
|
IC50 |
= |
1.158 |
nM |
264.37 |
CN1CCN2c3ccccc3Cc3ccccc3C2C1 |
Homo sapiens |
CHEMBL1909105 |
cell membrane format |
CHEMBL592752 |
OBDepict
CH
3
N
N
CH
3
|
Ki |
= |
1.2 |
nM |
304.44 |
Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1 |
Homo sapiens |
CHEMBL4199286 |
single protein format |
CHEMBL373245 |
OBDepict
H
H
2
N
H
3
C
N
N
Cl
OH
|
Ki |
= |
1.2 |
nM |
225.68 |
C[C@H](N)Cn1ncc2ccc(O)c(Cl)c21 |
Homo sapiens |
CHEMBL863544 |
cell-based format |
CHEMBL190124 |
OBDepict
CH
3
N
H
H
3
C
H
HN
|
Ki |
= |
1.3 |
nM |
202.3 |
Cc1ccc2c(c1)N1[C@H](C)CNC[C@H]1C2 |
Homo sapiens |
CHEMBL828759 |
single protein format |
CHEMBL12713 |
OBDepict
Cl
N
N
F
N
O
NH
|
Ki |
= |
1.3 |
nM |
440.95 |
O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 |
Homo sapiens |
CHEMBL617275 |
single protein format |
CHEMBL361079 |
OBDepict
F
F
F
N
H
CH
3
H
NH
|
Ki |
= |
1.4 |
nM |
256.27 |
C[C@@H]1CNC[C@H]2Cc3ccc(C(F)(F)F)cc3N12 |
Homo sapiens |
CHEMBL828759 |
single protein format |
CHEMBL406851 |
OBDepict
H
H
2
N
CH
3
N
N
S
|
Ki |
= |
1.4 |
nM |
231.32 |
C[C@H](N)Cn1ncc2ccc3sccc3c21 |
Homo sapiens |
CHEMBL921962 |
cell-based format |
CHEMBL294951 |
OBDepict
CH
3
N
S
|
Ki |
= |
1.4 |
nM |
295.45 |
CN1CCC(=C2c3ccccc3CCc3sccc32)CC1 |
Homo sapiens |
CHEMBL3095676 |
single protein format |
CHEMBL4635105 |
OBDepict
Cl
N
H
3
C
H
3
C
N
H
|
Ki |
= |
1.4 |
nM |
236.75 |
CC1(C)CN2CCNCc3ccc(Cl)c1c32 |
Homo sapiens |
CHEMBL4617352 |
single protein format |
CHEMBL187739 |
OBDepict
Cl
CH
3
N
H
HN
|
Ki |
= |
1.5 |
nM |
222.72 |
Cc1c(Cl)ccc2c1N1CCNC[C@H]1C2 |
Homo sapiens |
CHEMBL828759 |
single protein format |
CHEMBL12314 |
OBDepict
H
3
C
N
H
N
H
CH
3
H
NH
S
N
O
O
H
3
C
H
3
C
|
Ki |
= |
1.5 |
nM |
362.5 |
CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 |
Homo sapiens |
CHEMBL616819 |
single protein format |
CHEMBL366164 |
OBDepict
F
S
H
O
H
H
N
H
3
C
CH
3
|
Ki |
= |
1.5 |
nM |
329.44 |
CN(C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 |
Homo sapiens |
CHEMBL829975 |
single protein format |
CHEMBL199775 |
OBDepict
CH
3
O
N
N
H
2
N
H
3
C
H
|
Ki |
= |
1.5 |
nM |
205.26 |
COc1ccc2cnn(C[C@H](C)N)c2c1 |
Homo sapiens |
CHEMBL863544 |
cell-based format |
CHEMBL203230 |
OBDepict
Cl
N
N
H
CH
3
H
NH
|
Ki |
= |
1.6 |
nM |
223.71 |
C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12 |
Homo sapiens |
CHEMBL861244 |
cell-based format |
CHEMBL201930 |
OBDepict
H
H
2
N
CH
3
N
N
|
Ki |
= |
1.6 |
nM |
225.29 |
C[C@H](N)Cn1ccc2ccc3ncccc3c21 |
Homo sapiens |
CHEMBL854096 |
single protein format |
CHEMBL569475 |
OBDepict
O
HN
N
H
Cl
O
N
Br
H
3
C
N
N
|
Ki |
= |
1.6 |
nM |
518.84 |
Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |
Homo sapiens |
CHEMBL1041065 |
cell-based format |
CHEMBL479952 |
OBDepict
O
N
H
N
H
N
O
N
|
IC50 |
= |
1.6 |
nM |
330.35 |
O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[nH]c2ccccc12 |
Homo sapiens |
CHEMBL988364 |
cell-based format |
CHEMBL188033 |
OBDepict
CH
3
CH
3
N
H
H
3
C
H
HN
|
Ki |
= |
1.7 |
nM |
216.33 |
Cc1ccc2c(c1C)N1[C@H](C)CNC[C@H]1C2 |
Homo sapiens |
CHEMBL828759 |
single protein format |
CHEMBL1093699 |
OBDepict
H
3
C
O
O
NH
F
O
H
N
H
|
Ki |
= |
1.7 |
nM |
364.46 |
COc1cc(OCC2CCCCC2)c(F)cc1CNC(=O)[C@@H]1CCCN1 |
Homo sapiens |
CHEMBL1115172 |
single protein format |
CHEMBL1091106 |
OBDepict
F
O
HN
F
O
H
N
H
H
3
C
CH
3
|
Ki |
= |
1.8 |
nM |
366.45 |
CC1(C)CCC(Oc2cc(F)c(CNC(=O)[C@@H]3CCCN3)cc2F)CC1 |
Homo sapiens |
CHEMBL1115172 |
single protein format |
CHEMBL267777 |
OBDepict
F
N
F
H
3
C
N
O
N
S
|
Ki |
= |
1.8 |
nM |
477.58 |
Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
Homo sapiens |
CHEMBL3736696 |
cell-based format |
CHEMBL6616 |
OBDepict
H
3
C
O
I
O
NH
2
H
3
C
CH
3
|
Ki |
= |
1.82 |
nM |
321.16 |
COc1cc(CC(C)N)c(OC)cc1I |
Homo sapiens |
CHEMBL617907 |
single protein format |
CHEMBL191054 |
OBDepict
CH
3
Cl
N
H
H
3
C
H
HN
|
Ki |
= |
1.9 |
nM |
236.75 |
Cc1c(Cl)ccc2c1N1[C@H](CNC[C@H]1C)C2 |
Homo sapiens |
CHEMBL828759 |
single protein format |
CHEMBL147656 |
OBDepict
NH
2
N
H
F
|
Ki |
= |
1.9 |
nM |
190.22 |
NC1CC1c1c[nH]c2ccc(F)cc12 |
Homo sapiens |
CHEMBL617908 |
single protein format |
CHEMBL12314 |
OBDepict
H
3
C
N
H
N
H
CH
3
H
NH
S
N
O
O
H
3
C
H
3
C
|
IC50 |
= |
1.9 |
nM |
362.5 |
CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 |
Homo sapiens |
CHEMBL871864 |
single protein format |
CHEMBL519103 |
OBDepict
H
3
C
N
H
N
H
O
N
O
H
3
C
N
|
IC50 |
= |
1.9 |
nM |
358.4 |
Cc1ccc2c(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c[nH]c2c1 |
Homo sapiens |
CHEMBL988364 |
cell-based format |
CHEMBL2393243 |
OBDepict
N
N
N
H
N
H
ClH
|
IC50 |
= |
1.98 |
nM |
366.9 |
Cl.c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1 |
Homo sapiens |
CHEMBL2396138 |
cell-based format |
CHEMBL1113 |
OBDepict
Cl
O
N
N
NH
|
Ki |
= |
1.984 |
nM |
313.79 |
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2 |
Homo sapiens |
CHEMBL1909105 |
cell membrane format |
CHEMBL301784 |
OBDepict
O
N
N
H
N
Cl
Cl
O
CH
3
N
|
Ki |
= |
2.0 |
nM |
415.28 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Cl)c(Cl)cc32)cn1 |
Homo sapiens |
CHEMBL1176403 |
cell-based format |
CHEMBL482496 |
OBDepict
CH
3
O
I
O
N
H
T
T
T
O
T
T
T
|
Ki |
= |
2.0 |
nM |
439.33 |
[3H]C([3H])([3H])Oc1cc(I)c(OC)cc1CCNCc1ccccc1OC([3H])([3H])[3H] |
Homo sapiens |
CHEMBL956492 |
single protein format |
CHEMBL1065 |
OBDepict
CH
3
HN
H
OH
O
H
N
CH
3
H
N
H
3
C
|
IC50 |
= |
2.087 |
nM |
353.47 |
CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 |
Homo sapiens |
CHEMBL1909105 |
cell membrane format |
CHEMBL2112055 |
OBDepict
H
N
NH
H
CH
3
|
Ki |
= |
2.2 |
nM |
188.27 |
C[C@@H]1CNC[C@H]2Cc3ccccc3N12 |
Homo sapiens |
CHEMBL828759 |
single protein format |
CHEMBL305275 |
OBDepict
Br
O
O
H
2
N
H
3
C
H
|
Ki |
= |
2.28 |
nM |
298.18 |
C[C@@H](N)Cc1c2c(c(Br)c3c1OCC3)OCC2 |
Homo sapiens |
CHEMBL617905 |
single protein format |
CHEMBL2393245 |
OBDepict
Cl
N
H
N
N
N
H
ClH
|
IC50 |
= |
2.3 |
nM |
401.34 |
Cl.Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CCNCC3)c1 |
Homo sapiens |
CHEMBL2396138 |
cell-based format |
CHEMBL206394 |
OBDepict
H
3
C
O
CH
3
H
N
N
H
CH
3
H
NH
|
Ki |
= |
2.3 |
nM |
261.37 |
CCO[C@@H](C)c1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 |
Homo sapiens |
CHEMBL861244 |
cell-based format |
CHEMBL76781 |
OBDepict
F
Cl
N
H
2
N
H
3
C
H
|
Ki |
= |
2.3 |
nM |
226.68 |
C[C@H](N)Cn1ccc2cc(F)c(Cl)cc21 |
Homo sapiens |
CHEMBL620618 |
assay format |
CHEMBL201454 |
OBDepict
Cl
N
N
NH
2
CH
3
H
|
Ki |
= |
2.4 |
nM |
259.74 |
C[C@H](N)Cn1ccc2cc(Cl)c3ncccc3c21 |
Homo sapiens |
CHEMBL854096 |
single protein format |
CHEMBL573131 |
OBDepict
H
CH
3
NH
N
O
F
F
F
|
Ki |
= |
2.4 |
nM |
284.28 |
C[C@@H]1CN(c2ccc(C(F)(F)F)c3ccoc23)CCN1 |
Homo sapiens |
CHEMBL1040388 |
single protein format |
CHEMBL435301 |
OBDepict
Cl
O
H
O
H
N
CH
3
H
3
C
|
Ki |
= |
2.4 |
nM |
329.83 |
CN(C)C[C@H]1CC2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 |
Homo sapiens |
CHEMBL829975 |
single protein format |
CHEMBL4646618 |
OBDepict
CH
3
N
CH
3
N
H
|
Ki |
= |
2.4 |
nM |
202.3 |
Cc1ccc2c3c1C(C)CN3CCNC2 |
Homo sapiens |
CHEMBL4617352 |
single protein format |
CHEMBL259480 |
OBDepict
Br
Cl
HN
|
Ki |
= |
2.4 |
nM |
260.56 |
Clc1c(Br)ccc2c1CCNCC2 |
Homo sapiens |
CHEMBL936729 |
cell-based format |
CHEMBL516 |
OBDepict
CH
3
N
|
IC50 |
= |
2.44 |
nM |
287.41 |
CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1 |
Homo sapiens |
CHEMBL1909105 |
cell membrane format |
CHEMBL1065 |
OBDepict
CH
3
HN
H
OH
O
H
N
CH
3
H
N
H
3
C
|
Ki |
= |
2.5 |
nM |
353.47 |
CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 |
Homo sapiens |
CHEMBL979352 |
cell-based format |
CHEMBL261045 |
OBDepict
CH
3
N
N
H
2
N
CH
3
H
O
|
Ki |
= |
2.5 |
nM |
243.31 |
CCc1nn(C[C@H](C)N)c2c1ccc1occc12 |
Homo sapiens |
CHEMBL921962 |
cell-based format |
CHEMBL190584 |
OBDepict
CH
3
N
H
H
3
C
H
HN
|
Ki |
= |
2.6 |
nM |
202.3 |
Cc1cccc2c1N1[C@H](C)CNC[C@H]1C2 |
Homo sapiens |
CHEMBL828759 |
single protein format |
CHEMBL51 |
OBDepict
F
O
N
N
O
N
O
H
|
IC50 |
= |
2.7 |
nM |
395.43 |
O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 |
Homo sapiens |
CHEMBL871864 |
single protein format |
CHEMBL403927 |
OBDepict
CH
3
O
N
N
H
2
N
CH
3
H
H
3
C
|
Ki |
= |
2.7 |
nM |
271.36 |
CCc1cc2c(ccc3c(CC)nn(C[C@H](C)N)c32)o1 |
Homo sapiens |
CHEMBL921962 |
cell-based format |
CHEMBL206845 |
OBDepict
CH
3
N
N
H
H
3
C
H
HN
|
Ki |
= |
2.7 |
nM |
203.29 |
Cc1ccc2c(n1)N1[C@H](C)CNC[C@H]1C2 |
Homo sapiens |
CHEMBL861244 |
cell-based format |
CHEMBL131736 |
OBDepict
CH
3
NH
2
N
CH
3
O
|
Ki |
= |
2.7 |
nM |
244.34 |
CC(N)Cc1cn(C)c2ccc3c(c12)CCCO3 |
Homo sapiens |
CHEMBL617287 |
single protein format |
CHEMBL4632473 |
OBDepict
Cl
Cl
N
H
N
H
3
C
|
Ki |
= |
2.8 |
nM |
257.16 |
CC1CN2CCNCc3cc(Cl)c(Cl)c1c32 |
Homo sapiens |
CHEMBL4617352 |
single protein format |
CHEMBL565322 |
OBDepict
O
NH
N
H
F
F
F
O
N
CH
3
N
N
|
Ki |
= |
2.9 |
nM |
487.53 |
Cn1nccc1-c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCCN1CCCCC1 |
Homo sapiens |
CHEMBL1041065 |
cell-based format |
CHEMBL285802 |
OBDepict
CH
3
N
H
3
C
O
S
Cl
|
Ki |
= |
2.9 |
nM |
331.87 |
CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21 |
Homo sapiens |
CHEMBL617275 |
single protein format |
CHEMBL590580 |
OBDepict
O
N
H
N
CH
3
HN
|
Ki |
= |
2.9 |
nM |
231.3 |
Cc1cccc2c1C(=O)NC1CCNCCN21 |
Homo sapiens |
CHEMBL1067825 |
cell-based format |
CHEMBL303313 |
OBDepict
CH
3
N
N
H
S
Cl
|
Ki |
= |
2.9 |
nM |
344.91 |
CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 |
Homo sapiens |
CHEMBL1261590 |
cell-based format |
CHEMBL571915 |
OBDepict
O
HN
N
H
Cl
O
N
Cl
H
3
C
N
N
|
Ki |
= |
3.0 |
nM |
474.39 |
Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |
Homo sapiens |
CHEMBL1041065 |
cell-based format |
CHEMBL4634785 |
OBDepict
H
H
N
NH
|
Ki |
= |
3.0 |
nM |
230.35 |
C1=CC2CNCCN3C[C@@H]4CCC[C@@H]4C(=C1)C23 |
Homo sapiens |
CHEMBL4617360 |
cell-based format |
CHEMBL2110670 |
OBDepict
H
H
N
NH
|
Ki |
= |
3.0 |
nM |
228.34 |
c1cc2c3c(c1)[C@H]1CCC[C@H]1CN3CCNC2 |
Homo sapiens |
CHEMBL3129452 |
single protein format |
CHEMBL608116 |
OBDepict
F
O
H
N
N
NH
|
Ki |
= |
3.0 |
nM |
313.38 |
Fc1cccc(O[C@H]2CCc3ccc(N4CCNCC4)nc32)c1 |
Homo sapiens |
CHEMBL1069948 |
cell-based format |
CHEMBL371300 |
OBDepict
HO
N
N
NH
2
CH
3
H
|
Ki |
= |
3.0 |
nM |
191.23 |
C[C@H](N)Cn1ncc2ccc(O)cc21 |
Homo sapiens |
CHEMBL863544 |
cell-based format |
CHEMBL2031574 |
OBDepict
F
HN
O
O
N
|
IC50 |
= |
3.1 |
nM |
428.51 |
O=C(Nc1ccc2c(c1)OCC(CN1CCCC1)=C2)c1ccc(-c2ccc(F)cc2)cc1 |
Homo sapiens |
CHEMBL2033454 |
cell-based format |
CHEMBL1259173 |
OBDepict
CH
3
N
N
H
S
NH
O
CH
3
|
Ki |
= |
3.1 |
nM |
381.55 |
CC(=O)NCc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 |
Homo sapiens |
CHEMBL1261590 |
cell-based format |
CHEMBL629 |
OBDepict
CH
3
N
CH
3
|
Ki |
= |
3.168 |
nM |
277.41 |
CN(C)CCC=C1c2ccccc2CCc2ccccc21 |
Homo sapiens |
CHEMBL1909105 |
cell membrane format |
CHEMBL76474 |
OBDepict
H
3
C
S
F
N
NH
2
CH
3
H
|
Ki |
= |
3.2 |
nM |
240.35 |
CSc1cc2c(cc1F)CCN2C[C@H](C)N |
Homo sapiens |
CHEMBL620618 |
assay format |
CHEMBL43929 |
OBDepict
O
N
N
H
N
Cl
I
|
Ki |
= |
3.2 |
nM |
399.62 |
O=C(Nc1cccnc1)N1CCc2cc(I)c(Cl)cc21 |
Homo sapiens |
CHEMBL1176403 |
cell-based format |
CHEMBL54769 |
OBDepict
Br
N
N
H
O
N
O
CH
3
N
|
Ki |
= |
3.2 |
nM |
425.29 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1 |
Homo sapiens |
CHEMBL1176403 |
cell-based format |
CHEMBL296090 |
OBDepict
O
N
N
H
N
I
H
3
C
|
Ki |
= |
3.2 |
nM |
379.2 |
Cc1cc2c(cc1I)N(C(=O)Nc1cccnc1)CC2 |
Homo sapiens |
CHEMBL1176403 |
cell-based format |
CHEMBL433060 |
OBDepict
I
N
N
H
O
N
O
CH
3
N
|
Ki |
= |
3.2 |
nM |
472.29 |
Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(I)ccc32)cn1 |
Homo sapiens |
CHEMBL1176403 |
cell-based format |