molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3924897 |
|
IC50 |
= |
4.8 |
nM |
353.45 |
COc1cc(N)ccc1-c1cc2c(c(=O)[nH]1)C(C1CCCCC1)N=[N+]2C |
Homo sapiens |
CHEMBL3707551 |
single protein format |
CHEMBL2019112 |
OBDepict
CH
3
O
N
N
N
H
S
O
N
N
O
CH
3
|
IC50 |
= |
8.0 |
nM |
467.6 |
COc1cc(N2CCN(C(C)=O)CC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL2019816 |
single protein format |
CHEMBL3670399 |
OBDepict
CH
3
O
NH
2
N
N
H
O
CH
3
N
N
|
IC50 |
= |
9.27 |
nM |
353.43 |
COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL3707551 |
single protein format |
CHEMBL2171422 |
OBDepict
CH
3
O
N
N
N
H
CH
3
N
O
N
NH
2
|
IC50 |
= |
11.0 |
nM |
436.56 |
COc1cc(N2CCC(N)CC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 |
Homo sapiens |
CHEMBL2174777 |
single protein format |
CHEMBL2019104 |
OBDepict
CH
3
O
N
N
N
H
S
O
NH
N
|
IC50 |
= |
17.0 |
nM |
439.59 |
COc1cc(N2CCCNCC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL2019816 |
single protein format |
CHEMBL2171423 |
OBDepict
CH
3
O
N
N
N
H
NH
CH
3
N
O
N
|
IC50 |
= |
19.0 |
nM |
436.56 |
COc1cc(N2CCCNCC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 |
Homo sapiens |
CHEMBL2174777 |
single protein format |
CHEMBL2019021 |
OBDepict
CH
3
O
H
2
N
N
N
H
S
O
N
|
IC50 |
= |
31.0 |
nM |
356.45 |
COc1cc(N)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 |
Homo sapiens |
CHEMBL2019816 |
single protein format |
CHEMBL4128481 |
OBDepict
CH
3
O
O
N
CH
3
N
N
H
H
3
C
H
N
N
H
CH
3
|
IC50 |
= |
41.3 |
nM |
327.39 |
COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC |
Homo sapiens |
CHEMBL4122472 |
single protein format |
CHEMBL2171421 |
OBDepict
CH
3
O
NH
2
N
N
H
CH
3
N
O
N
|
IC50 |
= |
43.0 |
nM |
353.43 |
COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 |
Homo sapiens |
CHEMBL2174777 |
single protein format |
CHEMBL3639692 |
OBDepict
CH
3
O
NH
HN
Cl
O
|
IC50 |
= |
106.0 |
nM |
308.81 |
CCCOc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 |
Homo sapiens |
CHEMBL3707551 |
single protein format |
CHEMBL363097 |
OBDepict
CH
3
N
H
O
S
N
N
N
H
3
C
|
IC50 |
= |
144.0 |
nM |
330.46 |
CC(=O)Nc1ccc(-c2nn(C)/c(=N/C3CCCCC3)s2)cc1 |
Homo sapiens |
CHEMBL3707551 |
single protein format |
CHEMBL3769817 |
OBDepict
CH
3
N
O
N
N
N
H
N
N
H
H
N
|
Ki |
= |
300.0 |
nM |
489.58 |
CN1C(=O)c2c(nn(Cc3ccc(-c4ccccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 |
Homo sapiens |
CHEMBL3772480 |
single protein format |
CHEMBL3359633 |
OBDepict
Cl
S
+
N
O
_
O
N
|
IC50 |
= |
600.0 |
nM |
266.71 |
O=[N+]([O-])c1ccc(Sc2ccncc2)c(Cl)c1 |
Homo sapiens |
CHEMBL3383866 |
single protein format |
CHEMBL3770470 |
OBDepict
O
N
CH
3
N
H
N
N
N
N
H
H
|
Ki |
= |
910.0 |
nM |
488.6 |
CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 |
Homo sapiens |
CHEMBL3772480 |
single protein format |
CHEMBL3741207 |
OBDepict
CH
3
O
N
N
CH
3
N
N
CH
3
N
F
|
IC50 |
< |
1000.0 |
nM |
399.43 |
COc1cc(-c2ccncc2)cc2c1nc(C)c1c(C)nc(-c3ccc(F)nc3)n12 |
Homo sapiens |
CHEMBL3742952 |
single protein format |