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SMILES: COc1ccc(CNCC(O)c2cccc(O)c2)cc1Br

InChI Key: InChIKey=DMMYCBJHILDHHL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50265478   

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))	BDBM50265478 (CHEMBL3484893) Show SMILES COc1ccc(CNCC(O)c2cccc(O)c2)cc1Br Show InChI InChI=1S/C16H18BrNO3/c1-21-16-6-5-11(7-14(16)17)9-18-10-15(20)12-3-2-4-13(19)8-12/h2-8,15,18-20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Displacement of 3H-U69593 from human KOR expressed in HEK293 cells after 90 mins by micro beta scintillation counting analysis				J Med Chem 60: 3070-3081 (2017) Article DOI: 10.1021/acs.jmedchem.7b00109 BindingDB Entry DOI: 10.7270/Q2VQ354M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50265478 (CHEMBL3484893) Show SMILES COc1ccc(CNCC(O)c2cccc(O)c2)cc1Br Show InChI InChI=1S/C16H18BrNO3/c1-21-16-6-5-11(7-14(16)17)9-18-10-15(20)12-3-2-4-13(19)8-12/h2-8,15,18-20H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Displacement of 3H-U69593 from human KOR expressed in HEK293 cells after 90 mins by micro beta scintillation counting analysis				J Med Chem 60: 3070-3081 (2017) Article DOI: 10.1021/acs.jmedchem.7b00109 BindingDB Entry DOI: 10.7270/Q2VQ354M
					More data for this Ligand-Target Pair