molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2206400 |
|
Ki |
= |
2.0 |
nM |
172.23 |
c1ccc(CCc2c[nH]cn2)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206385 |
OBDepict
CH
3
N
N
Cl
N
H
|
Ki |
= |
2.0 |
nM |
235.72 |
CCN(Cc1cnc[nH]1)c1cccc(Cl)c1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206376 |
OBDepict
H
3
C
N
CH
3
N
Cl
N
H
Cl
|
Ki |
= |
4.0 |
nM |
284.19 |
CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206377 |
OBDepict
Cl
Cl
N
H
3
C
CH
3
N
N
H
|
Ki |
= |
4.0 |
nM |
284.19 |
CC(C)N(Cc1cnc[nH]1)c1cc(Cl)cc(Cl)c1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206890 |
OBDepict
Cl
N
CH
3
H
3
C
N
N
H
|
Ki |
= |
4.0 |
nM |
249.75 |
CC(C)N(Cc1cnc[nH]1)c1cccc(Cl)c1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206381 |
OBDepict
CH
3
O
N
CH
3
H
3
C
N
N
H
|
Ki |
= |
5.0 |
nM |
245.33 |
COc1cccc(N(Cc2cnc[nH]2)C(C)C)c1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206375 |
OBDepict
H
3
C
N
CH
3
N
N
H
Cl
|
Ki |
= |
6.0 |
nM |
249.75 |
CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206384 |
OBDepict
Cl
N
CH
3
N
N
H
|
Ki |
= |
11.0 |
nM |
221.69 |
CN(Cc1cnc[nH]1)c1cccc(Cl)c1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206402 |
OBDepict
CH
3
N
N
N
H
|
Ki |
= |
11.0 |
nM |
187.25 |
CN(Cc1cnc[nH]1)c1ccccc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206388 |
OBDepict
CH
3
O
N
N
CH
3
H
3
C
N
N
H
|
Ki |
= |
12.0 |
nM |
246.31 |
COc1cccc(N(Cc2cnc[nH]2)C(C)C)n1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206408 |
OBDepict
H
N
N
N
|
Ki |
= |
12.0 |
nM |
213.28 |
c1ccc2c(c1)CCCN2Cc1c[nH]cn1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206379 |
OBDepict
F
N
H
3
C
CH
3
N
N
H
|
Ki |
= |
12.0 |
nM |
233.29 |
CC(C)N(Cc1c[nH]cn1)c1cccc(F)c1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206380 |
OBDepict
H
3
C
N
CH
3
N
N
H
F
|
Ki |
= |
13.0 |
nM |
233.29 |
CC(C)N(Cc1cnc[nH]1)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206378 |
OBDepict
H
N
N
N
H
3
C
CH
3
F
|
Ki |
= |
18.0 |
nM |
233.29 |
CC(C)N(Cc1c[nH]cn1)c1ccccc1F |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL494421 |
OBDepict
H
N
N
|
Ki |
= |
20.0 |
nM |
158.2 |
c1ccc(Cc2c[nH]cn2)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206404 |
OBDepict
H
3
C
N
CH
3
N
N
H
|
Ki |
= |
22.0 |
nM |
215.3 |
CC(C)N(Cc1cnc[nH]1)c1ccccc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206397 |
OBDepict
CH
3
N
N
CH
3
H
|
Ki |
= |
24.0 |
nM |
214.31 |
CCc1cccc(CC)c1Cc1ncc[nH]1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL348369 |
OBDepict
H
N
N
N
|
Ki |
= |
32.0 |
nM |
263.34 |
c1ccc(CN(Cc2c[nH]cn2)c2ccccc2)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206386 |
OBDepict
Cl
N
H
3
C
H
3
C
CH
3
N
N
H
|
Ki |
= |
33.0 |
nM |
263.77 |
CC(C)(C)N(Cc1c[nH]cn1)c1cccc(Cl)c1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206407 |
OBDepict
H
N
N
N
|
Ki |
= |
35.0 |
nM |
199.26 |
c1ccc2c(c1)CCN2Cc1c[nH]cn1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206396 |
OBDepict
CH
3
CH
3
N
N
H
|
Ki |
= |
36.0 |
nM |
186.26 |
Cc1cccc(C)c1Cc1ncc[nH]1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206889 |
OBDepict
H
N
N
N
H
3
C
CH
3
Cl
|
Ki |
= |
40.0 |
nM |
249.75 |
CC(C)N(Cc1c[nH]cn1)c1ccccc1Cl |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206403 |
OBDepict
CH
3
N
N
N
H
|
Ki |
= |
48.0 |
nM |
201.27 |
CCN(Cc1cnc[nH]1)c1ccccc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206401 |
OBDepict
H
N
N
N
H
|
Ki |
= |
65.0 |
nM |
173.22 |
c1ccc(NCc2c[nH]cn2)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206371 |
OBDepict
Cl
N
CH
3
H
3
C
N
N
H
|
Ki |
= |
68.0 |
nM |
249.75 |
CC(C)N(Cc1ncc[nH]1)c1cccc(Cl)c1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206405 |
OBDepict
H
N
N
N
|
Ki |
= |
69.0 |
nM |
249.32 |
c1ccc(N(Cc2c[nH]cn2)c2ccccc2)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206382 |
OBDepict
CH
3
O
N
CH
3
H
3
C
N
N
H
|
Ki |
= |
80.0 |
nM |
245.33 |
COc1ccc(N(Cc2c[nH]cn2)C(C)C)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL71033 |
OBDepict
CH
3
CH
3
N
H
N
|
Ki |
= |
82.0 |
nM |
188.27 |
Cc1cccc(C)c1CC1=NCCN1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206390 |
OBDepict
CH
3
N
N
N
N
O
N
CH
3
H
|
Ki |
= |
84.0 |
nM |
233.28 |
CCN(Cc1c[nH]cn1)c1nccc(OC)n1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206406 |
OBDepict
H
N
N
N
|
Ki |
= |
100.0 |
nM |
213.28 |
c1ccc(N(Cc2c[nH]cn2)C2CC2)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206389 |
OBDepict
H
N
N
N
N
N
H
3
C
CH
3
Cl
|
Ki |
= |
100.0 |
nM |
251.72 |
CC(C)N(Cc1c[nH]cn1)c1nccc(Cl)n1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206383 |
OBDepict
H
N
N
N
CH
3
CH
3
S
O
O
CH
3
|
Ki |
= |
128.0 |
nM |
293.39 |
CC(C)N(Cc1c[nH]cn1)c1cccc(S(C)(=O)=O)c1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206369 |
OBDepict
Cl
N
H
3
C
CH
3
N
N
H
|
Ki |
= |
138.0 |
nM |
249.75 |
CC(C)N(Cc1ncc[nH]1)c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206387 |
OBDepict
H
N
N
N
N
H
3
C
CH
3
|
Ki |
= |
195.0 |
nM |
216.29 |
CC(C)N(Cc1c[nH]cn1)c1ccccn1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206391 |
OBDepict
CH
3
N
H
N
CH
3
|
Ki |
= |
300.0 |
nM |
216.33 |
CCc1cccc(CC)c1CC1=NCCN1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206394 |
OBDepict
H
N
N
|
Ki |
= |
400.0 |
nM |
158.2 |
c1ccc(Cc2ncc[nH]2)cc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206370 |
OBDepict
H
3
C
N
CH
3
N
N
H
|
Ki |
= |
470.0 |
nM |
215.3 |
CC(C)N(Cc1ncc[nH]1)c1ccccc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL149652 |
OBDepict
Cl
Cl
N
H
N
|
Ki |
= |
500.0 |
nM |
229.11 |
Clc1cccc(Cl)c1CC1=NCCN1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206398 |
OBDepict
CH
3
CH
3
N
N
CH
3
H
3
C
H
|
Ki |
= |
630.0 |
nM |
242.37 |
CC(C)c1cccc(C(C)C)c1Cc1ncc[nH]1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206372 |
OBDepict
CH
3
N
N
N
H
|
Ki |
= |
710.0 |
nM |
201.27 |
CCN(Cc1ncc[nH]1)c1ccccc1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |
CHEMBL2206392 |
OBDepict
H
3
C
CH
3
NH
N
H
3
C
CH
3
|
Ki |
= |
825.0 |
nM |
244.38 |
CC(C)c1cccc(C(C)C)c1CC1=NCCN1 |
Homo sapiens |
CHEMBL2213071 |
cell-based format |