Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50265482'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50265482 (CHEMBL4071661) Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1 Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	83	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))	BDBM50265482 (CHEMBL4071661) Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1 Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	90	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))	BDBM50265482 (CHEMBL4071661) Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1 Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents 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 Antagonist activity at KOR (unknown origin) expressed in HTLA cells assessed as inhibition of Sal A-induced beta-arrestin recruitment preincubated fo...				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))	BDBM50265482 (CHEMBL4071661) Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1 Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	234	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 Antagonist activity at KOR (unknown origin) expressed in HTLA cells assessed as inhibition of Sal A-induced beta-arrestin recruitment preincubated fo...				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))	BDBM50265482 (CHEMBL4071661) Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1 Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Antagonist activity at KOR (unknown origin) expressed in HTLA cells assessed as inhibition of Sal A-induced beta-arrestin recruitment preincubated fo...				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))	BDBM50265482 (CHEMBL4071661) Show SMILES OC(CNCc1ccc(Cl)cc1Cl)c1cccc(O)c1 Show InChI InChI=1S/C15H15Cl2NO2/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10/h1-7,15,18-20H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Antagonist activity at KOR (unknown origin) expressed in HTLA cells assessed as inhibition of Sal A-induced beta-arrestin recruitment preincubated fo...				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