BDBM50158863 CHEMBL3785706

SMILES: CN(C)CC(=O)N1CCC(CN[C@@H]2C[C@H]2c2ccccc2)(Cc2cccc(c2)C#N)CC1

InChI Key: InChIKey=RFBGGBZQGXXNLM-LOSJGSFVSA-N

Data: 1 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 1 hit for monomerid = 50158863   

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 histone demethylase 1A (Homo sapiens (Human))	BDBM50158863 (CHEMBL3785706) Show SMILES CN(C)CC(=O)N1CCC(CN[C@@H]2C[C@H]2c2ccccc2)(Cc2cccc(c2)C#N)CC1 |r| Show InChI InChI=1S/C27H34N4O/c1-30(2)19-26(32)31-13-11-27(12-14-31,17-21-7-6-8-22(15-21)18-28)20-29-25-16-24(25)23-9-4-3-5-10-23/h3-10,15,24-25,29H,11-14,16-17,19-20H2,1-2H3/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A expressed in Escherichia coli using biotin-histone H3 as substrate preincubated for 1 hr followed by substrate ...				J Med Chem 59: 1308-29 (2016) BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair