BDBM50353130 CHEMBL1829303

SMILES: COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCOCCN(C)C)C1CCCCC1

InChI Key: InChIKey=AOUKSAFLYFTXJC-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 = 50353130   

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))	BDBM50353130 (CHEMBL1829303) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCOCCN(C)C)C1CCCCC1 Show InChI InChI=1S/C29H47N5O3/c1-21(2)34-13-11-23(12-14-34)30-29-24-19-26(35-5)27(37-18-17-36-16-15-33(3)4)20-25(24)31-28(32-29)22-9-7-6-8-10-22/h19-23H,6-18H2,1-5H3,(H,30,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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))	BDBM50353130 (CHEMBL1829303) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCOCCN(C)C)C1CCCCC1 Show InChI InChI=1S/C29H47N5O3/c1-21(2)34-13-11-23(12-14-34)30-29-24-19-26(35-5)27(37-18-17-36-16-15-33(3)4)20-25(24)31-28(32-29)22-9-7-6-8-10-22/h19-23H,6-18H2,1-5H3,(H,30,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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