BDBM50140567 CHEMBL3752893

SMILES: OC(=O)CCNc1nc(cc(n1)-c1nccs1)N1CCc2ccccc2CC1

InChI Key: InChIKey=SEFJUGMVOWTWKT-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 = 50140567   

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 6B (Homo sapiens (Human))	BDBM50140567 (CHEMBL3752893) Show SMILES OC(=O)CCNc1nc(cc(n1)-c1nccs1)N1CCc2ccccc2CC1 Show InChI InChI=1S/C20H21N5O2S/c26-18(27)5-8-22-20-23-16(19-21-9-12-28-19)13-17(24-20)25-10-6-14-3-1-2-4-15(14)7-11-25/h1-4,9,12-13H,5-8,10-11H2,(H,26,27)(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay				Bioorg Med Chem Lett 26: 721-5 (2016) BindingDB Entry DOI: 10.7270/Q2P55QC2
					More data for this Ligand-Target Pair