Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50083637'   

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 (Rattus norvegicus (rat))	BDBM50083637 (4-(((3S,4R)-1-allyl-3-methylpiperidin-4-yl)(phenyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1ccccc1 Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50083637 (4-(((3S,4R)-1-allyl-3-methylpiperidin-4-yl)(phenyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1ccccc1 Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacement of [3H]-U-69,593 radioligand				Bioorg Med Chem Lett 10: 1281-4 (2000) BindingDB Entry DOI: 10.7270/Q2P84B3K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50083637 (4-(((3S,4R)-1-allyl-3-methylpiperidin-4-yl)(phenyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1ccccc1 Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50083637 (4-(((3S,4R)-1-allyl-3-methylpiperidin-4-yl)(phenyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1ccccc1 Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50083637 (4-(((3S,4R)-1-allyl-3-methylpiperidin-4-yl)(phenyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1ccccc1 Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity towards opioid kappa receptor using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 9: 3347-50 (2000) BindingDB Entry DOI: 10.7270/Q2MK6DDP
					More data for this Ligand-Target Pair