BDBM50158842 CHEMBL3786644

SMILES: OC(=O)c1ccc(O)c2ncc(cc12)N1CCCN(CCc2cccc3ccccc23)CC1

InChI Key: InChIKey=FNBWHWMNQCOYDE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50158842   

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
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158842 (CHEMBL3786644) Show SMILES OC(=O)c1ccc(O)c2ncc(cc12)N1CCCN(CCc2cccc3ccccc23)CC1 Show InChI InChI=1S/C27H27N3O3/c31-25-10-9-23(27(32)33)24-17-21(18-28-26(24)25)30-13-4-12-29(15-16-30)14-11-20-7-3-6-19-5-1-2-8-22(19)20/h1-3,5-10,17-18,31H,4,11-16H2,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4A (1 to 350 residues) (unknown origin) expressed in Escherichia coli using H3K4me3 as substrate				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50158842 (CHEMBL3786644) Show SMILES OC(=O)c1ccc(O)c2ncc(cc12)N1CCCN(CCc2cccc3ccccc23)CC1 Show InChI InChI=1S/C27H27N3O3/c31-25-10-9-23(27(32)33)24-17-21(18-28-26(24)25)30-13-4-12-29(15-16-30)14-11-20-7-3-6-19-5-1-2-8-22(19)20/h1-3,5-10,17-18,31H,4,11-16H2,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of KDM4C (1 to 350 residues) (unknown origin) expressed in Escherichia coli using H3K4me3 as substrate				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4B (Homo sapiens (Human))	BDBM50158842 (CHEMBL3786644) Show SMILES OC(=O)c1ccc(O)c2ncc(cc12)N1CCCN(CCc2cccc3ccccc23)CC1 Show InChI InChI=1S/C27H27N3O3/c31-25-10-9-23(27(32)33)24-17-21(18-28-26(24)25)30-13-4-12-29(15-16-30)14-11-20-7-3-6-19-5-1-2-8-22(19)20/h1-3,5-10,17-18,31H,4,11-16H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using H3K4me3 as substrate				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair