molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3925961 |
|
IC50 |
= |
300.0 |
nM |
537.63 |
CNC(C)C(=O)Nc1ccc(-c2c(-c3ccncc3)nc3cc(C)ccn23)c(C#Cc2ccc3ncccc3c2)n1 |
Homo sapiens |
CHEMBL3889225 |
tissue-based format |
CHEMBL3969750 |
OBDepict
CH
3
HN
CH
3
HN
O
N
N
N
N
H
3
C
N
O
|
IC50 |
= |
300.0 |
nM |
553.63 |
CNC(C)C(=O)Nc1ccc(-c2c(-c3ccncc3)nc3cc(C)ccn23)c(C#Cc2ccc(-c3ccon3)cc2)n1 |
Homo sapiens |
CHEMBL3889225 |
tissue-based format |
CHEMBL3910478 |
OBDepict
CH
3
HN
CH
3
HN
O
N
N
N
N
H
3
C
N
H
3
C
|
IC50 |
= |
500.0 |
nM |
551.65 |
CNC(C)C(=O)Nc1ccc(-c2c(-c3ccncc3)nc3cc(C)ccn23)c(C#Cc2ccc3nc(C)ccc3c2)n1 |
Homo sapiens |
CHEMBL3889225 |
tissue-based format |
CHEMBL3911035 |
OBDepict
H
3
C
NH
H
3
C
H
NH
O
N
N
N
N
H
3
C
CH
3
CH
3
N
|
IC50 |
= |
900.0 |
nM |
565.68 |
CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccnc(C)c3)nc3cc(C)ccn23)c(C#Cc2ccc3c(C)nccc3c2)n1 |
Homo sapiens |
CHEMBL3889225 |
tissue-based format |