BDBM50442034 CHEMBL2334489

SMILES: COc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1

InChI Key: InChIKey=OLQGIKMRQSQWTD-UHFFFAOYSA-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 = 50442034   

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))	BDBM50442034 (CHEMBL2334489) Show SMILES COc1ccc(Cn2cc(CSC(=S)N3CCN(CC3)C(=O)OCc3ccccc3)nn2)cc1 Show InChI InChI=1S/C24H27N5O3S2/c1-31-22-9-7-19(8-10-22)15-29-16-21(25-26-29)18-34-24(33)28-13-11-27(12-14-28)23(30)32-17-20-5-3-2-4-6-20/h2-10,16H,11-15,17-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of human recombinant LSD1 (157 to 852 aa) expressed in Escherichia coli BL21(DE) using H3K4me2 as substrate by fluorescence assay				J Med Chem 56: 8543-60 (2013) Article DOI: 10.1021/jm401002r BindingDB Entry DOI: 10.7270/Q2XD1333
					More data for this Ligand-Target Pair