BDBM50236502 CHEMBL4063458

SMILES: Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCNC2)cc1

InChI Key: InChIKey=CMAZUZORDXKXGI-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 = 50236502   

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
LSD1/CoREST complex (Homo sapiens (Human))	BDBM50236502 (CHEMBL4063458) Show SMILES Cn1c(cc2sccc12)C(=O)Nc1ccccc1COc1ccc(OC2CCNC2)cc1 Show InChI InChI=1S/C25H25N3O3S/c1-28-22-11-13-32-24(22)14-23(28)25(29)27-21-5-3-2-4-17(21)16-30-18-6-8-19(9-7-18)31-20-10-12-26-15-20/h2-9,11,13-14,20,26H,10,12,15-16H2,1H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	804	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter				J Med Chem 60: 1693-1715 (2017) Article DOI: 10.1021/acs.jmedchem.6b01019 BindingDB Entry DOI: 10.7270/Q22809VX
					More data for this Ligand-Target Pair