molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2403550 |
|
IC50 |
= |
0.006 |
nM |
395.52 |
Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C |
Homo sapiens |
CHEMBL2405025 |
single protein format |
CHEMBL2403549 |
OBDepict
F
CH
3
N
H
O
CH
3
N
H
N
H
H
3
C
|
IC50 |
= |
0.0092 |
nM |
395.52 |
Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C |
Homo sapiens |
CHEMBL2405025 |
single protein format |
CHEMBL508712 |
OBDepict
CH
3
N
N
O
CH
3
O
N
|
Ki |
= |
0.03125 |
nM |
403.53 |
Cc1cccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL2413837 |
OBDepict
N
O
N
|
Ki |
= |
0.045 |
nM |
392.59 |
c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)c(CN2CCCCC2)c1 |
Homo sapiens |
CHEMBL2416136 |
cell-based format |
CHEMBL1085337 |
OBDepict
CH
3
N
N
N
H
CH
3
|
Ki |
= |
0.05 |
nM |
337.51 |
CC1CCN(c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)CC1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL197747 |
OBDepict
_
O
+
N
O
N
N
H
O
N
H
H
3
C
|
Ki |
= |
0.05 |
nM |
366.42 |
C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc([N+](=O)[O-])cn3)ccc2o1 |
Homo sapiens |
CHEMBL881343 |
single protein format |
CHEMBL2413835 |
OBDepict
N
O
N
|
Ki |
= |
0.057 |
nM |
418.63 |
C(=Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)CN1CCCCC1 |
Homo sapiens |
CHEMBL2416136 |
cell-based format |
CHEMBL453893 |
OBDepict
Cl
N
N
O
CH
3
O
N
|
Ki |
= |
0.0625 |
nM |
423.94 |
Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(Cl)cccc2c1=O |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL470609 |
OBDepict
Cl
N
O
N
|
Ki |
= |
0.068 |
nM |
350.93 |
ClC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 |
Homo sapiens |
CHEMBL975272 |
cell-based format |
CHEMBL488249 |
OBDepict
CH
3
N
N
O
O
N
|
Ki |
= |
0.06875 |
nM |
389.5 |
Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2ccccc2c1=O |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL454642 |
OBDepict
F
N
N
O
CH
3
O
N
|
Ki |
= |
0.07812 |
nM |
407.49 |
Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(F)cccc2c1=O |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL178853 |
OBDepict
CH
3
O
O
N
H
H
3
C
|
Ki |
= |
0.08 |
nM |
347.46 |
CC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL199245 |
OBDepict
H
CH
3
N
O
N
H
N
N
|
Ki |
= |
0.08 |
nM |
322.41 |
C[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1 |
Homo sapiens |
CHEMBL881343 |
single protein format |
CHEMBL14364 |
OBDepict
Cl
N
N
H
O
N
|
Ki |
= |
0.086 |
nM |
395.93 |
Clc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 |
Homo sapiens |
CHEMBL697095 |
cell-based format |
CHEMBL178682 |
OBDepict
F
F
O
O
N
H
H
3
C
|
Ki |
= |
0.09 |
nM |
369.41 |
C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cc(F)cc(F)c3)ccc2o1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL15153 |
OBDepict
N
O
N
H
N
|
Ki |
= |
0.091 |
nM |
361.49 |
c1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 |
Homo sapiens |
CHEMBL697095 |
cell-based format |
CHEMBL453654 |
OBDepict
CH
3
O
N
O
N
H
3
C
O
N
|
Ki |
= |
0.09375 |
nM |
419.53 |
COc1ccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c2c1 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL454879 |
OBDepict
CH
3
O
N
O
N
H
3
C
O
N
|
Ki |
= |
0.09375 |
nM |
419.53 |
COc1ccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc2c1 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL507360 |
OBDepict
H
3
C
O
N
N
N
O
H
3
C
O
N
|
Ki |
= |
0.09375 |
nM |
420.51 |
COc1nccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL513193 |
OBDepict
F
N
O
N
|
Ki |
= |
0.094 |
nM |
334.48 |
FC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 |
Homo sapiens |
CHEMBL975272 |
cell-based format |
CHEMBL487059 |
OBDepict
O
N
N
O
N
|
Ki |
= |
0.09688 |
nM |
453.59 |
O=c1c2ccccc2nc(-c2ccc(OCCCN3CCCCC3)cc2)n1Cc1ccccc1 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL3087669 |
OBDepict
CH
3
N
H
N
O
H
N
H
3
C
N
H
3
C
O
H
H
3
C
|
Ki |
= |
0.1 |
nM |
382.51 |
Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1c(C)noc1C |
Homo sapiens |
CHEMBL3089261 |
cell-based format |
CHEMBL1084383 |
OBDepict
CH
3
N
S
N
N
N
N
H
H
3
C
|
Ki |
= |
0.1 |
nM |
377.52 |
Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2ncnn12 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL1085398 |
OBDepict
H
3
C
O
N
N
N
H
H
3
C
|
Ki |
= |
0.1 |
nM |
397.52 |
Cc1onc(-c2ccccc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL2413824 |
OBDepict
N
O
O
N
|
Ki |
= |
0.1 |
nM |
436.64 |
c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1OCCCN1CCCCC1 |
Homo sapiens |
CHEMBL2416136 |
cell-based format |
CHEMBL179539 |
OBDepict
F
O
O
N
H
H
3
C
|
Ki |
= |
0.1 |
nM |
351.42 |
C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cccc(F)c3)ccc2o1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL1085964 |
OBDepict
H
CH
3
N
N
N
N
|
Ki |
= |
0.11 |
nM |
318.42 |
C[C@@H]1CCCN1CCc1ccc2nc(-c3cnccn3)ccc2c1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL196467 |
OBDepict
H
CH
3
N
O
N
H
N
N
|
Ki |
= |
0.11 |
nM |
322.41 |
C[C@@H]1CCCN1CCc1cc2cc(Nc3cnccn3)ccc2o1 |
Homo sapiens |
CHEMBL881343 |
single protein format |
CHEMBL1084560 |
OBDepict
H
CH
3
N
N
N
|
Ki |
= |
0.11 |
nM |
317.44 |
C[C@@H]1CCCN1CCc1ccc2nc(-c3cccnc3)ccc2c1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL1086514 |
OBDepict
O
N
N
N
H
CH
3
|
Ki |
= |
0.12 |
nM |
409.53 |
C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(-n4ccc(=O)cc4)cc3)ccc2c1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL1084385 |
OBDepict
H
3
C
N
N
N
N
H
H
3
C
|
Ki |
= |
0.12 |
nM |
370.5 |
Cc1nc2ccccn2c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL247505 |
OBDepict
N
N
H
H
3
C
|
Ki |
= |
0.12 |
nM |
340.47 |
C[C@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1 |
Homo sapiens |
CHEMBL885775 |
cell-based format |
CHEMBL517140 |
OBDepict
H
3
C
N
H
O
N
O
N
|
Ki |
= |
0.12 |
nM |
351.45 |
CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1 |
Homo sapiens |
CHEMBL1008299 |
single protein format |
CHEMBL194506 |
OBDepict
N
N
N
H
N
O
N
H
CH
3
|
Ki |
= |
0.13 |
nM |
385.47 |
C[C@@H]1CCCN1CCc1cc2cc(CNc3cc(C#N)nc(C#N)c3)ccc2o1 |
Homo sapiens |
CHEMBL881343 |
single protein format |
CHEMBL2413828 |
OBDepict
N
O
O
N
|
Ki |
= |
0.13 |
nM |
450.67 |
c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1OCCCCN1CCCCC1 |
Homo sapiens |
CHEMBL2416136 |
cell-based format |
CHEMBL196294 |
OBDepict
_
O
+
N
O
N
HN
O
N
H
H
3
C
|
Ki |
= |
0.14 |
nM |
366.42 |
C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccc3[N+](=O)[O-])ccc2o1 |
Homo sapiens |
CHEMBL881343 |
single protein format |
CHEMBL1082781 |
OBDepict
CH
3
N
N
N
H
CH
3
|
Ki |
= |
0.15 |
nM |
331.46 |
Cc1ccc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL453892 |
OBDepict
H
3
C
O
N
N
O
H
3
C
O
N
|
Ki |
= |
0.1562 |
nM |
419.53 |
COc1cccc2c(=O)n(C)c(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)nc12 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL453653 |
OBDepict
CH
3
O
N
O
N
H
3
C
O
N
|
Ki |
= |
0.1562 |
nM |
419.53 |
COc1cccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c12 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL487230 |
OBDepict
CH
3
N
N
O
O
N
|
Ki |
= |
0.1562 |
nM |
405.54 |
CCCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL558655 |
OBDepict
H
CH
3
N
S
HN
O
O
N
|
Ki |
= |
0.1585 |
nM |
435.59 |
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCc3ccncc3)cc2)cc1 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL550517 |
OBDepict
CH
3
O
O
S
O
O
CH
3
O
N
H
CH
3
|
Ki |
= |
0.16 |
nM |
459.61 |
COc1cccc2c1OC(c1ccc(OCCCN3CCC[C@H](C)C3)cc1)C(C)S2(=O)=O |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL1085396 |
OBDepict
Cl
N
O
H
3
C
N
N
H
CH
3
|
Ki |
= |
0.16 |
nM |
431.97 |
Cc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL1084827 |
OBDepict
CH
3
N
N
CH
3
N
N
H
CH
3
|
Ki |
= |
0.16 |
nM |
334.47 |
Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1C |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL562870 |
OBDepict
CH
3
O
O
S
O
O
CH
3
O
N
|
Ki |
= |
0.161 |
nM |
457.59 |
COc1cccc2c1OC(c1ccc(OC3CCN(C4CCC4)CC3)cc1)C(C)S2(=O)=O |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL208650 |
OBDepict
CH
3
N
CH
3
O
N
|
Ki |
= |
0.17 |
nM |
316.49 |
CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2C1 |
Homo sapiens |
CHEMBL867233 |
single protein format |
CHEMBL2413836 |
OBDepict
N
O
N
|
Ki |
= |
0.17 |
nM |
420.64 |
c1cc(-c2ccc(OCCCN3CCCCC3)cc2)ccc1CCCN1CCCCC1 |
Homo sapiens |
CHEMBL2416136 |
cell-based format |
CHEMBL4516622 |
OBDepict
N
H
H
N
H
H
3
C
|
Ki |
= |
0.17 |
nM |
316.45 |
C[C@@H]1CCCN1[C@H]1C[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)C1 |
Homo sapiens |
CHEMBL4433273 |
single protein format |
CHEMBL1098230 |
OBDepict
H
N
N
S
CH
3
H
3
C
CH
3
|
Ki |
= |
0.17 |
nM |
260.41 |
CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 |
Homo sapiens |
CHEMBL1112036 |
cell-based format |
CHEMBL1824245 |
OBDepict
H
H
N
O
N
|
Ki |
= |
0.17 |
nM |
418.63 |
c1ccc2c(c1)CN([C@H]1CC[C@H](c3ccc(OCCCN4CCCCC4)cc3)CC1)C2 |
Homo sapiens |
CHEMBL1827031 |
cell-based format |
CHEMBL395190 |
OBDepict
N
N
CH
3
|
Ki |
= |
0.18 |
nM |
340.47 |
CC1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1 |
Homo sapiens |
CHEMBL885775 |
cell-based format |
CHEMBL1083462 |
OBDepict
CH
3
N
CH
3
N
N
N
N
CH
3
N
N
H
CH
3
|
Ki |
= |
0.19 |
nM |
441.58 |
Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(N(C)C)nn1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL237394 |
OBDepict
CH
3
O
N
N
N
N
CH
3
N
N
H
CH
3
|
Ki |
= |
0.19 |
nM |
442.57 |
CCOc1ccc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)nn1 |
Homo sapiens |
CHEMBL900873 |
cell-based format |
CHEMBL424842 |
OBDepict
_
O
+
N
O
S
N
NH
O
N
H
H
3
C
|
Ki |
= |
0.19 |
nM |
386.48 |
C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc([N+](=O)[O-])s3)ccc2o1 |
Homo sapiens |
CHEMBL881343 |
single protein format |
CHEMBL1084559 |
OBDepict
CH
3
N
S
CH
3
N
N
H
H
3
C
|
Ki |
= |
0.19 |
nM |
351.52 |
Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)s1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL1085828 |
OBDepict
H
CH
3
N
N
N
N
|
Ki |
= |
0.19 |
nM |
318.42 |
C[C@@H]1CCCN1CCc1ccc2nc(-c3cncnc3)ccc2c1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL179263 |
OBDepict
Cl
O
O
N
H
H
3
C
|
Ki |
= |
0.19 |
nM |
367.88 |
C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cccc(Cl)c3)ccc2o1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL362607 |
OBDepict
Cl
O
O
N
H
H
3
C
|
Ki |
= |
0.19 |
nM |
367.88 |
C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(Cl)cc3)ccc2o1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL208611 |
OBDepict
N
O
N
|
Ki |
= |
0.2 |
nM |
378.56 |
c1ccc(CN2CCCc3cc(OCCCN4CCCCC4)ccc3C2)cc1 |
Homo sapiens |
CHEMBL867233 |
single protein format |
CHEMBL210051 |
OBDepict
CH
3
N
H
3
C
O
N
|
Ki |
= |
0.2 |
nM |
330.52 |
CC(C)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1 |
Homo sapiens |
CHEMBL867233 |
single protein format |
CHEMBL1822862 |
OBDepict
CH
3
N
CH
3
O
N
|
Ki |
= |
0.2 |
nM |
344.54 |
CN(C)C1CCC(c2ccc(OCCCN3CCCCC3)cc2)CC1 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL2031885 |
OBDepict
O
N
O
N
N
H
CH
3
|
Ki |
= |
0.2 |
nM |
431.58 |
C[C@@H]1CCCN1CCN1CCc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2C1=O |
Homo sapiens |
CHEMBL2034391 |
cell-based format |
CHEMBL472466 |
OBDepict
Br
N
O
N
|
Ki |
= |
0.2 |
nM |
395.39 |
BrC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 |
Homo sapiens |
CHEMBL975272 |
cell-based format |
CHEMBL246126 |
OBDepict
N
O
N
CH
3
H
3
C
O
N
|
Ki |
= |
0.2 |
nM |
421.59 |
CN(C)CCC(Oc1ccc(C#N)cc1)c1ccc(OCCCN2CCCCC2)cc1 |
Homo sapiens |
CHEMBL886091 |
single protein format |
CHEMBL560863 |
OBDepict
H
3
C
O
O
S
O
O
CH
3
O
N
H
CH
3
|
Ki |
= |
0.2 |
nM |
445.58 |
COc1cccc2c1OC(c1ccc(OCCCN3CCC[C@H]3C)cc1)C(C)S2(=O)=O |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL1084314 |
OBDepict
H
N
N
CH
3
N
N
H
H
3
C
|
Ki |
= |
0.2 |
nM |
320.44 |
Cc1n[nH]cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL1783890 |
OBDepict
H
3
C
N
H
O
N
N
O
N
|
Ki |
= |
0.21 |
nM |
352.44 |
CNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1 |
Homo sapiens |
CHEMBL1785144 |
cell-based format |
CHEMBL368699 |
OBDepict
CH
3
O
O
N
H
H
3
C
|
Ki |
= |
0.21 |
nM |
347.46 |
Cc1ccc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)cc1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL451821 |
OBDepict
CH
3
HN
H
N
O
CH
3
H
3
C
CH
3
H
CH
3
H
H
H
N
H
CH
3
H
H
3
C
|
Ki |
= |
0.21 |
nM |
455.73 |
CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C |
Homo sapiens |
CHEMBL973670 |
cell-based format |
CHEMBL1824231 |
OBDepict
H
H
N
CH
3
H
3
C
O
N
|
Ki |
= |
0.21 |
nM |
344.54 |
CN(C)[C@H]1CC[C@H](c2ccc(OCCCN3CCCCC3)cc2)CC1 |
Homo sapiens |
CHEMBL1827031 |
cell-based format |
CHEMBL178192 |
OBDepict
O
CH
3
O
F
N
H
CH
3
|
Ki |
= |
0.21 |
nM |
365.45 |
Cc1cc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)ccc1F |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL369502 |
OBDepict
O
O
N
H
CH
3
|
Ki |
= |
0.21 |
nM |
373.5 |
C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(=O)C4CC4)c3)ccc2o1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL453894 |
OBDepict
H
3
C
N
N
O
F
F
F
O
N
|
Ki |
= |
0.2188 |
nM |
457.5 |
Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(C(F)(F)F)cccc2c1=O |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL479241 |
OBDepict
O
N
N
O
N
|
Ki |
= |
0.2188 |
nM |
425.53 |
O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(OCCCN2CCCC2)cc1 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL515004 |
OBDepict
CH
3
N
N
O
O
N
|
Ki |
= |
0.2188 |
nM |
391.52 |
CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL1083406 |
OBDepict
H
CH
3
N
N
N
|
Ki |
= |
0.22 |
nM |
317.44 |
C[C@@H]1CCCN1CCc1ccc2nc(-c3ccncc3)ccc2c1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL247953 |
OBDepict
N
O
N
H
CH
3
|
Ki |
= |
0.22 |
nM |
320.44 |
C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 |
Homo sapiens |
CHEMBL885775 |
cell-based format |
CHEMBL362662 |
OBDepict
O
O
N
H
H
3
C
|
Ki |
= |
0.22 |
nM |
333.43 |
C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccccc3)ccc2o1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL371258 |
OBDepict
_
O
+
N
O
HN
O
N
H
H
3
C
|
Ki |
= |
0.22 |
nM |
365.43 |
C[C@@H]1CCCN1CCc1cc2cc(Nc3ccccc3[N+](=O)[O-])ccc2o1 |
Homo sapiens |
CHEMBL881343 |
single protein format |
CHEMBL454109 |
OBDepict
H
3
C
H
3
C
H
NH
2
H
N
O
H
3
C
H
CH
3
H
H
H
N
H
H
3
C
H
CH
3
|
Ki |
= |
0.22 |
nM |
455.73 |
CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1 |
Homo sapiens |
CHEMBL973670 |
cell-based format |
CHEMBL2413833 |
OBDepict
CH
3
N
N
O
N
|
Ki |
= |
0.23 |
nM |
393.58 |
CN1CCN(c2ccc(-c3ccc(OCCCN4CCCCC4)cc3)cc2)CC1 |
Homo sapiens |
CHEMBL2416136 |
cell-based format |
CHEMBL179472 |
OBDepict
CH
3
O
O
N
H
H
3
C
|
Ki |
= |
0.23 |
nM |
361.49 |
CCC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL1082489 |
OBDepict
H
3
C
O
N
N
N
N
H
H
3
C
|
Ki |
= |
0.23 |
nM |
348.45 |
COc1ncc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cn1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL455681 |
OBDepict
CH
3
N
N
O
O
N
|
Ki |
= |
0.2313 |
nM |
403.53 |
Cn1c(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)nc2ccccc2c1=O |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL248155 |
OBDepict
N
N
H
H
3
C
|
Ki |
= |
0.24 |
nM |
340.47 |
C[C@@H]1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1 |
Homo sapiens |
CHEMBL885775 |
cell-based format |
CHEMBL392573 |
OBDepict
CH
3
N
N
N
H
3
C
N
N
H
H
3
C
|
Ki |
= |
0.24 |
nM |
385.51 |
Cc1cc2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c(C)n2n1 |
Homo sapiens |
CHEMBL900873 |
cell-based format |
CHEMBL470601 |
OBDepict
F
F
N
O
N
|
Ki |
= |
0.24 |
nM |
352.47 |
FC1(F)CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 |
Homo sapiens |
CHEMBL975272 |
cell-based format |
CHEMBL360885 |
OBDepict
H
CH
3
N
O
OH
H
3
C
H
3
C
|
Ki |
= |
0.25 |
nM |
363.5 |
C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(C)(C)O)c3)ccc2o1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL459350 |
OBDepict
CH
3
N
O
N
|
Ki |
= |
0.25 |
nM |
494.72 |
CN(CCC=C1c2ccccc2CCc2ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1 |
Homo sapiens |
CHEMBL1030596 |
cell-based format |
CHEMBL1083407 |
OBDepict
Cl
N
N
N
H
CH
3
|
Ki |
= |
0.25 |
nM |
351.88 |
C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(Cl)nc3)ccc2c1 |
Homo sapiens |
CHEMBL1120717 |
single protein format |
CHEMBL1824233 |
OBDepict
H
N
H
O
N
|
Ki |
= |
0.25 |
nM |
356.55 |
c1cc([C@H]2CC[C@H](N3CCC3)CC2)ccc1OCCCN1CCCCC1 |
Homo sapiens |
CHEMBL1827031 |
cell-based format |
CHEMBL1824235 |
OBDepict
H
N
H
O
N
|
Ki |
= |
0.25 |
nM |
370.58 |
c1cc([C@H]2CC[C@H](N3CCCC3)CC2)ccc1OCCCN1CCCCC1 |
Homo sapiens |
CHEMBL1827031 |
cell-based format |
CHEMBL479036 |
OBDepict
H
3
C
CH
3
N
N
O
O
N
|
Ki |
= |
0.25 |
nM |
391.52 |
CC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1 |
Homo sapiens |
CHEMBL1827363 |
single protein format |
CHEMBL513729 |
OBDepict
F
N
O
N
|
Ki |
= |
0.26 |
nM |
320.45 |
FC1CCN(Cc2ccc(OCCCN3CCCC3)cc2)CC1 |
Homo sapiens |
CHEMBL975272 |
cell-based format |
CHEMBL178950 |
OBDepict
O
O
N
H
H
3
C
|
Ki |
= |
0.26 |
nM |
373.5 |
C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2o1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL207078 |
OBDepict
H
3
C
N
O
N
|
Ki |
= |
0.26 |
nM |
316.49 |
CCN1CCc2ccc(OCCCN3CCCCC3)cc2CC1 |
Homo sapiens |
CHEMBL867233 |
single protein format |
CHEMBL1824247 |
OBDepict
H
N
H
H
O
N
|
Ki |
= |
0.26 |
nM |
406.61 |
c1ccc(CN[C@H]2CC[C@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)cc1 |
Homo sapiens |
CHEMBL1827031 |
cell-based format |
CHEMBL393581 |
OBDepict
CH
3
N
N
N
N
N
H
H
3
C
|
Ki |
= |
0.26 |
nM |
397.53 |
Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccccn1 |
Homo sapiens |
CHEMBL900873 |
cell-based format |
CHEMBL555146 |
OBDepict
F
O
O
N
H
H
3
C
|
Ki |
= |
0.27 |
nM |
351.42 |
C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 |
Homo sapiens |
CHEMBL828754 |
cell-based format |
CHEMBL196868 |
OBDepict
N
HN
O
N
H
H
3
C
|
Ki |
= |
0.27 |
nM |
345.45 |
C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(C#N)cc3)ccc2o1 |
Homo sapiens |
CHEMBL881343 |
single protein format |