BDBM50526213 CHEMBL4594158

SMILES: OC(=O)C(F)(F)F.Cc1cc(N2CCCC(N)C2)n2nc(SCc3ccccc3)nc2n1

InChI Key: InChIKey=KSTNAHMGSQLQNK-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 = 50526213   

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))	BDBM50526213 (CHEMBL4594158) Show SMILES OC(=O)C(F)(F)F.Cc1cc(N2CCCC(N)C2)n2nc(SCc3ccccc3)nc2n1 Show InChI InChI=1S/C18H22N6S.C2HF3O2/c1-13-10-16(23-9-5-8-15(19)11-23)24-17(20-13)21-18(22-24)25-12-14-6-3-2-4-7-14;3-2(4,5)1(6)7/h2-4,6-7,10,15H,5,8-9,11-12,19H2,1H3;(H,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (unknown origin) using H3K4me2 as substrate by fluorescence assay				Eur J Med Chem 166: 432-444 (2019) Article DOI: 10.1016/j.ejmech.2019.01.075
					More data for this Ligand-Target Pair