Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50216142'   

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))	BDBM50216142 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1nc(C)no1 |r| Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216142 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1nc(C)no1 |r| Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 1301-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.078 BindingDB Entry DOI: 10.7270/Q2MP546B
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216142 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1nc(C)no1 |r| Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of EGTA				Bioorg Med Chem Lett 19: 1301-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.078 BindingDB Entry DOI: 10.7270/Q2MP546B
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216142 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1nc(C)no1 |r| Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase in U50488-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 19: 1301-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.078 BindingDB Entry DOI: 10.7270/Q2MP546B
					More data for this Ligand-Target Pair