Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50015660   

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))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) 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)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159161 ((3S,4aS,4bR,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1CO[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C23H30O7/c1-13(24)30-17-9-16(21(26)27-4)22(2)7-5-15-12-29-18(14-6-8-28-11-14)10-23(15,3)20(22)19(17)25/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16-,17-,18-,20-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159162 ((3S,4aR,4bS,6S,8R,8aR)-6-Acetoxy-3-furan-3-yl-4a,8...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CCC1=CO[C@@H](C[C@]21C)c1ccoc1 |t:19| Show InChI InChI=1S/C23H28O7/c1-13(24)30-17-9-16(21(26)27-4)22(2)7-5-15-12-29-18(14-6-8-28-11-14)10-23(15,3)20(22)19(17)25/h6,8,11-12,16-18,20H,5,7,9-10H2,1-4H3/t16-,17-,18-,20-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159163 ((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...) Show SMILES COC(=O)[C@@H]1C[C@@H](C[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1)OC(C)=O Show InChI InChI=1S/C23H30O7/c1-13(24)29-15-9-17(20(25)27-4)22(2)7-5-16-21(26)30-18(14-6-8-28-12-14)11-23(16,3)19(22)10-15/h6,8,12,15-19H,5,7,9-11H2,1-4H3/t15-,16-,17-,18-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159172 ((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Formyloxy-3-furan-3-...) Show SMILES COC(=O)[C@@H]1C[C@H](OC=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C22H26O8/c1-21-6-4-13-20(26)30-16(12-5-7-28-10-12)9-22(13,2)18(21)17(24)15(29-11-23)8-14(21)19(25)27-3/h5,7,10-11,13-16,18H,4,6,8-9H2,1-3H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159173 ((3S,4aS,4bR,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...) 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)c1ccoc1 Show InChI InChI=1S/C23H30O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19,21,27H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,21?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159168 ((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)C1CCOC1 Show InChI InChI=1S/C23H32O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h13-17,19H,5-11H2,1-4H3/t13?,14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159169 ((3S,4aR,4bS,6S,8R,8aR,10aS)-6-Acetoxy-3-furan-3-yl...) 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)c1ccoc1 Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15+,16+,17+,19+,22+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159170 ((2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hyd...) Show SMILES CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C22H28O7/c1-12(24)28-16-8-14(10-23)21(2)6-4-15-20(26)29-17(13-5-7-27-11-13)9-22(15,3)19(21)18(16)25/h5,7,11,14-17,19,23H,4,6,8-10H2,1-3H3/t14-,15-,16-,17-,19-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159171 ((3S,4aR,4bR,5R,6S,8aR,10aR)-5,6-Diacetoxy-3-furan-...) Show SMILES COC(=O)C1=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@@H]3CC[C@@]12C)c1ccoc1 |t:4| Show InChI InChI=1S/C25H30O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9-10,12,16,18-21H,6,8,11H2,1-5H3/t16-,18-,19-,20-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159166 ((3S,4aR,4bS,5R,6S,8R,8aR,10aR)-5,6-Diacetoxy-3-fur...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H32O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9,12,16-21H,6,8,10-11H2,1-5H3/t16-,17-,18-,19-,20-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159174 ((3S,4aR,4bR,5R,6S,8aR,10aR)-5-Acetoxy-3-furan-3-yl...) Show SMILES COC(=O)C1=C[C@H](O)[C@H](OC(C)=O)[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@@H]3CC[C@@]12C)c1ccoc1 |t:4| Show InChI InChI=1S/C23H28O8/c1-12(24)30-18-16(25)9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(18)22/h6,8-9,11,14,16-19,25H,5,7,10H2,1-4H3/t14-,16-,17-,18-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50159167 ((3S,4aR,4bR,5R,6S,8aR,10aR)-6-Acetoxy-3-furan-3-yl...) Show SMILES COC(=O)C1=C[C@H](OC(C)=O)[C@H](O)[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@@H]3CC[C@@]12C)c1ccoc1 |t:4| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8-9,11,14,16-19,25H,5,7,10H2,1-4H3/t14-,16-,17-,18-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by PDSP Ki Database					Assay Description Ihibition of [3H]-diprenorphine binding to rat opioid receptor kappa 1 expressed in HEK 293 cells				J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J
					More data for this Ligand-Target Pair