BDBM50039100 2-(3,4-Dichloro-phenyl)-1-[5-hydroxy-1-(3-hydroxy-pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone::CHEMBL68354

SMILES: OC1CCN(CC2N(CCc3c(O)cccc23)C(=O)Cc2ccc(Cl)c(Cl)c2)C1

InChI Key: InChIKey=FWOHZFVTZAFRGX-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 = 50039100   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50039100 (2-(3,4-Dichloro-phenyl)-1-[5-hydroxy-1-(3-hydroxy-...) Show SMILES OC1CCN(CC2N(CCc3c(O)cccc23)C(=O)Cc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C22H24Cl2N2O3/c23-18-5-4-14(10-19(18)24)11-22(29)26-9-7-17-16(2-1-3-21(17)28)20(26)13-25-8-6-15(27)12-25/h1-5,10,15,20,27-28H,6-9,11-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description In vitro kappa-opioid receptor agonist activity in isolated rabbit vas deferens assay				J Med Chem 37: 2138-44 (1994) BindingDB Entry DOI: 10.7270/Q2668C78
					More data for this Ligand-Target Pair