BDBM50540648 CHEMBL4639944

SMILES: Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCNCC2)cc1)C1CCC1

InChI Key: InChIKey=HOKMEOVUDVQPSF-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 = 50540648   

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))	BDBM50540648 (CHEMBL4639944) Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCNCC2)cc1)C1CCC1 Show InChI InChI=1S/C28H34N4OS/c1-31-25-13-17-34-27(25)18-26(31)28-30-24(21-5-2-6-21)19-32(28)16-3-4-20-7-9-22(10-8-20)33-23-11-14-29-15-12-23/h7-10,13,17-19,21,23,29H,2-6,11-12,14-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology IRCCS Curated by ChEMBL					Assay Description Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay				ACS Med Chem Lett 11: 754-759 (2020)
					More data for this Ligand-Target Pair