BDBM50353125 CHEMBL1829299

SMILES: COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(Cc2ccccc2)CC1

InChI Key: InChIKey=XUZDGFZXJNROCP-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50353125   

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))	BDBM50353125 (CHEMBL1829299) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C36H53N7O2/c1-28(2)42-20-13-30(14-21-42)37-35-31-25-33(44-3)34(45-24-10-18-40-15-7-8-16-40)26-32(31)38-36(39-35)43-19-9-17-41(22-23-43)27-29-11-5-4-6-12-29/h4-6,11-12,25-26,28,30H,7-10,13-24,27H2,1-3H3,(H,37,38,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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))	BDBM50353125 (CHEMBL1829299) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C36H53N7O2/c1-28(2)42-20-13-30(14-21-42)37-35-31-25-33(44-3)34(45-24-10-18-40-15-7-8-16-40)26-32(31)38-36(39-35)43-19-9-17-41(22-23-43)27-29-11-5-4-6-12-29/h4-6,11-12,25-26,28,30H,7-10,13-24,27H2,1-3H3,(H,37,38,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	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