BDBM50323809 6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine::CHEMBL1213957
SMILES: COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(C)CC1
InChI Key: InChIKey=VSKQPWCCYSFMOY-UHFFFAOYSA-N
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein G9a (G9a) (Homo sapiens (Human)) | BDBM50323809 (6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay | J Med Chem 53: 5844-57 (2010) Article DOI: 10.1021/jm100478y BindingDB Entry DOI: 10.7270/Q2DZ08H1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein G9a (G9a) (Homo sapiens (Human)) | BDBM50323809 (6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay | J Med Chem 54: 6139-50 (2011) Article DOI: 10.1021/jm200903z BindingDB Entry DOI: 10.7270/Q237793P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein G9a (G9a) (Homo sapiens (Human)) | BDBM50323809 (6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay | J Med Chem 53: 5844-57 (2010) Article DOI: 10.1021/jm100478y BindingDB Entry DOI: 10.7270/Q2DZ08H1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein G9a (G9a) (Homo sapiens (Human)) | BDBM50323809 (6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay | J Med Chem 54: 6139-50 (2011) Article DOI: 10.1021/jm200903z BindingDB Entry DOI: 10.7270/Q237793P | |||||||||||
More data for this Ligand-Target Pair |