molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4094513 |
|
IC50 |
= |
1.1 |
nM |
306.86 |
CN(CCN)Cc1ccccc1Sc1ccccc1Cl |
Homo sapiens |
CHEMBL4026505 |
single protein format |
CHEMBL3589029 |
OBDepict
NH
2
N
H
3
C
N
N
H
O
|
IC50 |
= |
2.0 |
nM |
322.41 |
CN(CCN)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3901808 |
OBDepict
NH
2
N
CH
3
N
H
O
H
3
C
CH
3
|
IC50 |
= |
4.0 |
nM |
287.41 |
CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CCN)cc1 |
Homo sapiens |
CHEMBL3859041 |
single protein format |
CHEMBL3589030 |
OBDepict
NH
2
N
CH
3
N
N
H
Cl
O
CH
3
H
3
C
|
IC50 |
= |
7.0 |
nM |
322.84 |
CC(C)Oc1ccc(-c2[nH]ncc2CN(C)CCN)cc1Cl |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589031 |
OBDepict
CH
3
HN
N
CH
3
N
N
H
Cl
O
CH
3
H
3
C
|
IC50 |
= |
10.0 |
nM |
336.87 |
CNCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589026 |
OBDepict
NH
2
N
CH
3
N
N
H
O
CH
3
H
3
C
|
IC50 |
= |
10.0 |
nM |
288.4 |
CC(C)Oc1ccc(-c2[nH]ncc2CN(C)CCN)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589028 |
OBDepict
NH
2
N
CH
3
N
N
H
CH
3
H
3
C
|
IC50 |
= |
10.0 |
nM |
286.42 |
CC(C)Cc1ccc(-c2[nH]ncc2CN(C)CCN)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589027 |
OBDepict
CH
3
HN
N
CH
3
N
N
H
O
H
3
C
CH
3
|
IC50 |
= |
14.0 |
nM |
302.42 |
CNCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589037 |
OBDepict
CH
3
N
H
N
H
3
C
N
N
H
O
F
F
F
|
IC50 |
= |
21.0 |
nM |
438.54 |
CNCCN(C)Cc1cn[nH]c1-c1cc(OCCC2CCCCC2)cc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589032 |
OBDepict
CH
3
HN
N
CH
3
N
N
CH
3
Cl
O
CH
3
H
3
C
|
IC50 |
= |
22.0 |
nM |
350.89 |
CNCCN(C)Cc1cnn(C)c1-c1ccc(OC(C)C)c(Cl)c1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589033 |
OBDepict
H
3
C
NH
N
H
3
C
N
N
H
O
OH
CH
3
|
IC50 |
= |
22.0 |
nM |
332.45 |
CCC(CO)Oc1ccc(-c2[nH]ncc2CN(C)CCNC)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589036 |
OBDepict
CH
3
N
H
N
H
3
C
N
N
H
O
F
F
F
|
IC50 |
= |
23.0 |
nM |
432.49 |
CNCCN(C)Cc1cn[nH]c1-c1cc(OCCc2ccccc2)cc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589913 |
OBDepict
H
3
C
NH
N
H
3
C
N
N
H
O
CH
3
|
IC50 |
= |
28.0 |
nM |
288.4 |
CCOc1ccc(-c2[nH]ncc2CN(C)CCNC)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589038 |
OBDepict
CH
3
HN
N
CH
3
N
N
H
O
F
F
F
OH
CH
3
CH
3
|
IC50 |
= |
44.0 |
nM |
428.5 |
CNCCN(C)Cc1cn[nH]c1-c1cc(OC(CO)CC(C)C)cc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589034 |
OBDepict
CH
3
HN
N
CH
3
N
N
H
O
CH
3
H
3
C
HO
|
IC50 |
= |
55.0 |
nM |
346.48 |
CNCCN(C)Cc1cn[nH]c1-c1ccc(OC(CO)C(C)C)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3590417 |
OBDepict
CH
3
HN
N
CH
3
N
N
H
O
N
H
O
CH
3
|
IC50 |
= |
65.0 |
nM |
393.49 |
CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2ccccc2C(=O)NC)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589912 |
OBDepict
H
2
N
N
CH
3
N
N
H
F
|
IC50 |
= |
67.0 |
nM |
248.31 |
CN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589035 |
OBDepict
H
2
N
N
H
3
C
N
N
H
Cl
O
F
F
F
CH
3
H
3
C
|
IC50 |
= |
70.0 |
nM |
390.84 |
CC(C)Oc1c(Cl)cc(-c2c[nH]nc2CN(C)CCN)cc1C(F)(F)F |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL4463793 |
OBDepict
NH
2
N
CH
3
N
H
NH
O
H
2
C
|
IC50 |
= |
110.0 |
nM |
298.39 |
C=CC(=O)Nc1cccc(-c2c[nH]cc2CN(C)CCN)c1 |
Homo sapiens |
CHEMBL4346592 |
single protein format |
CHEMBL4544587 |
OBDepict
NH
2
N
CH
3
N
H
NH
O
H
3
C
|
IC50 |
= |
130.0 |
nM |
300.41 |
CCC(=O)Nc1cccc(-c2c[nH]cc2CN(C)CCN)c1 |
Homo sapiens |
CHEMBL4346592 |
single protein format |
CHEMBL3589042 |
OBDepict
H
3
C
NH
N
H
3
C
N
N
H
O
N
O
H
3
C
CH
3
|
IC50 |
= |
179.0 |
nM |
407.52 |
CNCCN(C)Cc1c[nH]nc1-c1ccc(Oc2cccc(C(=O)N(C)C)c2)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589039 |
OBDepict
CH
3
NH
N
H
3
C
N
N
H
O
H
H
O
O
|
IC50 |
= |
223.0 |
nM |
442.6 |
CNCCN(C)Cc1c[nH]nc1-c1ccc(O[C@H]2C[C@H](OCCC3CCOCC3)C2)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589043 |
OBDepict
H
3
C
NH
N
H
3
C
N
N
H
O
N
O
H
3
C
CH
3
|
IC50 |
= |
347.0 |
nM |
407.52 |
CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2cccc(C(=O)N(C)C)c2)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3589040 |
OBDepict
H
2
N
N
CH
3
N
N
H
O
N
O
|
IC50 |
= |
450.0 |
nM |
373.5 |
CN(CCN)Cc1c[nH]nc1-c1ccc(OCCCN2CCOCC2)cc1 |
Homo sapiens |
CHEMBL3591483 |
assay format |
CHEMBL3970878 |
OBDepict
CH
3
N
H
N
O
|
IC50 |
= |
573.0 |
nM |
324.47 |
CNCCN1CCC(OCc2cccc(-c3ccccc3)c2)CC1 |
Homo sapiens |
CHEMBL3859049 |
single protein format |