Compile Data Set for Download or QSAR

Found 249 hits with Last Name = 'richards' and Initial = 'mr'   

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))	BDBM50166728 ((3S,4aR,6S,8R,8aR)-6-Acetoxy-3-furan-3-yl-4a,8a-di...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)C2[C@@]1(C)CCC1C(=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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189154 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES CCC(=O)N(C)[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C25H33NO7/c1-6-19(27)26(4)17-11-16(22(29)31-5)24(2)9-7-15-23(30)33-18(14-8-10-32-13-14)12-25(15,3)21(24)20(17)28/h8,10,13,15-18,21H,6-7,9,11-12H2,1-5H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189134 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES COC(=O)[C@@H]1C[C@@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C24H33NO6/c1-13(2)25-17-10-16(21(27)29-5)23(3)8-6-15-22(28)31-18(14-7-9-30-12-14)11-24(15,4)20(23)19(17)26/h7,9,12-13,15-18,20,25H,6,8,10-11H2,1-5H3/t15-,16-,17+,18-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166715 ((3S,4aR,6S,8R,8aR)-6-Carbamoyloxy-3-furan-3-yl-4a,...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(N)=O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C22H27NO8/c1-21-6-4-12-19(26)30-15(11-5-7-29-10-11)9-22(12,2)17(21)16(24)14(31-20(23)27)8-13(21)18(25)28-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3,(H2,23,27)/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 Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189162 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES COC(=O)[C@@H]1C[C@H](N(C)C(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/C24H31NO7/c1-13(26)25(4)17-10-16(21(28)30-5)23(2)8-6-15-22(29)32-18(14-7-9-31-12-14)11-24(15,3)20(23)19(17)27/h7,9,12,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189138 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...) Show SMILES CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r| Show InChI InChI=1S/C25H32O8/c1-5-6-19(26)32-17-11-16(22(28)30-4)24(2)9-7-15-23(29)33-18(14-8-10-31-13-14)12-25(15,3)21(24)20(17)27/h8,10,13,15-18,21H,5-7,9,11-12H2,1-4H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166724 ((3S,4aR,6S,8R,8aR)-6-Butyryloxy-3-furan-3-yl-4a,8a...) Show SMILES CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C25H32O8/c1-5-6-19(26)32-17-11-16(22(28)30-4)24(2)9-7-15-23(29)33-18(14-8-10-31-13-14)12-25(15,3)21(24)20(17)27/h8,10,13,15-18,21H,5-7,9,11-12H2,1-4H3/t15?,16-,17-,18-,21?,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189142 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES CCC(=O)N(C)[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C25H33NO7/c1-6-19(27)26(4)17-11-16(22(29)31-5)24(2)9-7-15-23(30)33-18(14-8-10-32-13-14)12-25(15,3)21(24)20(17)28/h8,10,13,15-18,21H,6-7,9,11-12H2,1-5H3/t15-,16-,17+,18-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50170672 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r| Show InChI InChI=1S/C24H30O8/c1-5-18(25)31-16-10-15(21(27)29-4)23(2)8-6-14-22(28)32-17(13-7-9-30-12-13)11-24(14,3)20(23)19(16)26/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166729 ((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5...) Show SMILES CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C24H30O8/c1-5-18(25)31-16-10-15(21(27)29-4)23(2)8-6-14-22(28)32-17(13-7-9-30-12-13)11-24(14,3)20(23)19(16)26/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3/t14?,15-,16-,17-,20?,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-ethoxy-2-(fu...) Show SMILES CCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O7/c1-5-29-16-10-15(20(25)27-4)22(2)8-6-14-21(26)30-17(13-7-9-28-12-13)11-23(14,3)19(22)18(16)24/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166723 ((3S,4aR,6S,8R,8aR)-6-Ethoxy-3-furan-3-yl-4a,8a-dim...) Show SMILES CCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O7/c1-5-29-16-10-15(20(25)27-4)22(2)8-6-14-21(26)30-17(13-7-9-28-12-13)11-23(14,3)19(22)18(16)24/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3/t14?,15-,16-,17-,19?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189132 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES COC(=O)[C@@H]1C[C@@H](N(C)C(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/C24H31NO7/c1-13(26)25(4)17-10-16(21(28)30-5)23(2)8-6-15-22(29)32-18(14-7-9-31-12-14)11-24(15,3)20(23)19(17)27/h7,9,12,15-18,20H,6,8,10-11H2,1-5H3/t15-,16-,17+,18-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189158 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES COC(=O)[C@@H]1C[C@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C24H33NO6/c1-13(2)25-17-10-16(21(27)29-5)23(3)8-6-15-22(28)31-18(14-7-9-30-12-14)11-24(15,4)20(23)19(17)26/h7,9,12-13,15-18,20,25H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189163 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(N-ethylacet...) Show SMILES CCN([C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(C)=O Show InChI InChI=1S/C25H33NO7/c1-6-26(14(2)27)18-11-17(22(29)31-5)24(3)9-7-16-23(30)33-19(15-8-10-32-13-15)12-25(16,4)21(24)20(18)28/h8,10,13,16-19,21H,6-7,9,11-12H2,1-5H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166718 ((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5...) Show SMILES CCCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C24H32O7/c1-5-9-30-17-11-16(21(26)28-4)23(2)8-6-15-22(27)31-18(14-7-10-29-13-14)12-24(15,3)20(23)19(17)25/h7,10,13,15-18,20H,5-6,8-9,11-12H2,1-4H3/t15?,16-,17-,18-,20?,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166716 ((3S,4aR,6R,8R,8aR)-6-Ethylamino-3-furan-3-yl-4a,8a...) Show SMILES CCN[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C23H31NO6/c1-5-24-16-10-15(20(26)28-4)22(2)8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,3)19(22)18(16)25/h7,9,12,14-17,19,24H,5-6,8,10-11H2,1-4H3/t14?,15-,16+,17-,19?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189159 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(ethylamino)...) Show SMILES CCN[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C23H31NO6/c1-5-24-16-10-15(20(26)28-4)22(2)8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,3)19(22)18(16)25/h7,9,12,14-17,19,24H,5-6,8,10-11H2,1-4H3/t14-,15-,16+,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166727 ((3S,4aR,6S,8R,8aR)-6-Butoxy-3-furan-3-yl-4a,8a-dim...) Show SMILES CCCCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C25H34O7/c1-5-6-10-31-18-12-17(22(27)29-4)24(2)9-7-16-23(28)32-19(15-8-11-30-14-15)13-25(16,3)21(24)20(18)26/h8,11,14,16-19,21H,5-7,9-10,12-13H2,1-4H3/t16?,17-,18-,19-,21?,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189151 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(N-ethylprop...) Show SMILES CCN([C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(=O)CC Show InChI InChI=1S/C26H35NO7/c1-6-20(28)27(7-2)18-12-17(23(30)32-5)25(3)10-8-16-24(31)34-19(15-9-11-33-14-15)13-26(16,4)22(25)21(18)29/h9,11,14,16-19,22H,6-8,10,12-13H2,1-5H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166733 ((3S,4aR,6S,8R,8aR)-6-Allyloxy-3-furan-3-yl-4a,8a-d...) Show SMILES COC(=O)[C@@H]1C[C@H](OCC=C)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C24H30O7/c1-5-9-30-17-11-16(21(26)28-4)23(2)8-6-15-22(27)31-18(14-7-10-29-13-14)12-24(15,3)20(23)19(17)25/h5,7,10,13,15-18,20H,1,6,8-9,11-12H2,2-4H3/t15?,16-,17-,18-,20?,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189150 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(ethylamino)...) Show SMILES CCN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C23H31NO6/c1-5-24-16-10-15(20(26)28-4)22(2)8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,3)19(22)18(16)25/h7,9,12,14-17,19,24H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166725 ((3S,4aR,6S,8R,8aR)-6-Benzyloxy-3-furan-3-yl-4a,8a-...) Show SMILES COC(=O)[C@@H]1C[C@H](OCc2ccccc2)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C28H32O7/c1-27-11-9-19-26(31)35-22(18-10-12-33-16-18)14-28(19,2)24(27)23(29)21(13-20(27)25(30)32-3)34-15-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,24H,9,11,13-15H2,1-3H3/t19?,20-,21-,22-,24?,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166730 ((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-4a,8a-dimethyl-6-m...) Show SMILES CNC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C23H29NO8/c1-22-7-5-13-20(27)31-16(12-6-8-30-11-12)10-23(13,2)18(22)17(25)15(32-21(28)24-3)9-14(22)19(26)29-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3,(H,24,28)/t13?,14-,15-,16-,18?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166719 ((3S,4aR,6R,8R,8aR)-6-Dimethylamino-3-furan-3-yl-4a...) Show SMILES COC(=O)[C@@H]1C[C@@H](N(C)C)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C23H31NO6/c1-22-8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,2)19(22)18(25)16(24(3)4)10-15(22)20(26)28-5/h7,9,12,14-17,19H,6,8,10-11H2,1-5H3/t14?,15-,16+,17-,19?,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189140 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(dimethylami...) Show SMILES COC(=O)[C@@H]1C[C@@H](N(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C23H31NO6/c1-22-8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,2)19(22)18(25)16(24(3)4)10-15(22)20(26)28-5/h7,9,12,14-17,19H,6,8,10-11H2,1-5H3/t14-,15-,16+,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189133 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES CCC(=O)N[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C24H31NO7/c1-5-18(26)25-16-10-15(21(28)30-4)23(2)8-6-14-22(29)32-17(13-7-9-31-12-13)11-24(14,3)20(23)19(16)27/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189148 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetylamino)-2-(3-...) Show SMILES COC(=O)[C@@H]1C[C@H](NC(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/C23H29NO7/c1-12(25)24-16-9-15(20(27)29-4)22(2)7-5-14-21(28)31-17(13-6-8-30-11-13)10-23(14,3)19(22)18(16)26/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3,(H,24,25)/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166720 ((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-6-hydroxy-4a,8a-di...) Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12?,13-,14-,15-,17?,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189136 (CHEMBL424698 | Salvinorin B) Show SMILES COC(=O)[C@@H]1C[C@H](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/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189130 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(dimethylami...) Show SMILES COC(=O)[C@@H]1C[C@H](N(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C23H31NO6/c1-22-8-6-14-21(27)30-17(13-7-9-29-12-13)11-23(14,2)19(22)18(25)16(24(3)4)10-15(22)20(26)28-5/h7,9,12,14-17,19H,6,8,10-11H2,1-5H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166721 ((3S,4aR,6S,8R,8aR)-3-Furan-3-yl-6-methoxy-4a,8a-di...) Show SMILES CO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C22H28O7/c1-21-7-5-13-20(25)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(23)15(26-3)9-14(21)19(24)27-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13?,14-,15-,16-,18?,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189155 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES CO[C@H]1C[C@@H](C(=O)OC)[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/c1-21-7-5-13-20(25)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(23)15(26-3)9-14(21)19(24)27-4/h6,8,11,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189141 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-amino-2-(fur...) Show SMILES COC(=O)[C@@H]1C[C@@H](N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C21H27NO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9,22H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189152 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(N-ethylacet...) Show SMILES CCN([C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(C)=O Show InChI InChI=1S/C25H33NO7/c1-6-26(14(2)27)18-11-17(22(29)31-5)24(3)9-7-16-23(30)33-19(15-8-10-32-13-15)12-25(16,4)21(24)20(18)28/h8,10,13,16-19,21H,6-7,9,11-12H2,1-5H3/t16-,17-,18+,19-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270464 (CHEMBL4076203) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50270441 (CHEMBL4099818) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3| Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...				J Med Chem 61: 1990-2008 (2018) Article DOI: 10.1021/acs.jmedchem.7b01574 BindingDB Entry DOI: 10.7270/Q2XS5XV6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189144 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES CN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C22H29NO6/c1-21-7-5-13-20(26)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(24)15(23-3)9-14(21)19(25)27-4/h6,8,11,13-16,18,23H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	328	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189139 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-acetamido-2-...) Show SMILES COC(=O)[C@@H]1C[C@@H](NC(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/C23H29NO7/c1-12(25)24-16-9-15(20(27)29-4)22(2)7-5-14-21(28)31-17(13-6-8-30-11-13)10-23(14,3)19(22)18(16)26/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3,(H,24,25)/t14-,15-,16+,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	332	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189129 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...) Show SMILES CCC(=O)N[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C24H31NO7/c1-5-18(26)25-16-10-15(21(28)30-4)23(2)8-6-14-22(29)32-17(13-7-9-31-12-13)11-24(14,3)20(23)19(16)27/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3,(H,25,26)/t14-,15-,16-,17-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	374	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189137 ((2S,4aR,6aR,7R,9R,10aS,10bR)-methyl 9-(N-ethylprop...) Show SMILES CCN([C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1)C(=O)CC Show InChI InChI=1S/C26H35NO7/c1-6-20(28)27(7-2)18-12-17(23(30)32-5)25(3)10-8-16-24(31)34-19(15-9-11-33-14-15)13-26(16,4)22(25)21(18)29/h9,11,14,16-19,22H,6-8,10,12-13H2,1-5H3/t16-,17-,18+,19-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	376	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189145 ((2S,4aR,6aR,7R,9R,10aS,10bR)-9-(Acetyloxy)-2-(3-fu...) 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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	424	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells				Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50166734 ((3S,4aR,6S,8R,8aR)-6-Ethylcarbamoyloxy-3-furan-3-y...) Show SMILES CCNC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CCC3C(=O)O[C@@H](C[C@]3(C)C2C1=O)c1ccoc1 Show InChI InChI=1S/C24H31NO8/c1-5-25-22(29)33-16-10-15(20(27)30-4)23(2)8-6-14-21(28)32-17(13-7-9-31-12-13)11-24(14,3)19(23)18(16)26/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3,(H,25,29)/t14?,15-,16-,17-,19?,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	462	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of MBP-fused recombinant human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed...				Bioorg Med Chem 26: 5349-5358 (2018) Article DOI: 10.1016/j.bmc.2018.05.035 BindingDB Entry DOI: 10.7270/Q29W0J57
					More data for this Ligand-Target Pair

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