BDBM50442014 CHEMBL2440542

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2c(F)cccc2F)nn1

InChI Key: InChIKey=AENZEKNZUBXLLB-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 = 50442014   

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))	BDBM50442014 (CHEMBL2440542) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=S)SCc1cn(Cc2c(F)cccc2F)nn1 Show InChI InChI=1S/C20H25F2N5O2S2/c1-20(2,3)29-18(28)25-7-9-26(10-8-25)19(30)31-13-14-11-27(24-23-14)12-15-16(21)5-4-6-17(15)22/h4-6,11H,7-10,12-13H2,1-3H3	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	5.12E+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