BDBM50236467 CHEMBL4073106

SMILES: COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1

InChI Key: InChIKey=DHKMEXBVLDKGIA-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 = 50236467   

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))	BDBM50236467 (CHEMBL4073106) Show SMILES COCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC2CCNCC2)cc1 Show InChI InChI=1S/C28H31N3O4S/c1-31-25-12-15-36-27(25)16-26(31)28(32)30-24-5-3-4-19(17-33-2)23(24)18-34-20-6-8-21(9-7-20)35-22-10-13-29-14-11-22/h3-9,12,15-16,22,29H,10-11,13-14,17-18H2,1-2H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	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