Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50031432   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313166 ((S)-(2-hydroxy-6-methylphenyl)(2,3,5,7a-tetrahydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C15H17NO2/c1-10-4-2-6-13(17)14(10)15(18)11-7-9-16-8-3-5-12(11)16/h2,4,6-7,12,17H,3,5,8-9H2,1H3/t12-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313167 ((S,E)-(2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]aze...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C17H21NO2/c1-12-6-4-9-15(19)16(12)17(20)13-7-2-3-10-18-11-5-8-14(13)18/h4,6-7,9,14,19H,2-3,5,8,10-11H2,1H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50211219 (elaeocarpenine) Show SMILES Cc1cccc(O)c1C(=O)C1=CCC[NH+]2CCC[C@H]12 |t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/p+1/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313167 ((S,E)-(2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]aze...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C17H21NO2/c1-12-6-4-9-15(19)16(12)17(20)13-7-2-3-10-18-11-5-8-14(13)18/h4,6-7,9,14,19H,2-3,5,8,10-11H2,1H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50211219 (elaeocarpenine) Show SMILES Cc1cccc(O)c1C(=O)C1=CCC[NH+]2CCC[C@H]12 |t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/p+1/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50211219 (elaeocarpenine) Show SMILES Cc1cccc(O)c1C(=O)C1=CCC[NH+]2CCC[C@H]12 |t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/p+1/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313164 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-metho...) Show SMILES COc1cccc(C)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:12| Show InChI InChI=1S/C17H21NO2/c1-12-6-3-9-15(20-2)16(12)17(19)13-7-4-10-18-11-5-8-14(13)18/h3,6-7,9,14H,4-5,8,10-11H2,1-2H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313163 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313166 ((S)-(2-hydroxy-6-methylphenyl)(2,3,5,7a-tetrahydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C15H17NO2/c1-10-4-2-6-13(17)14(10)15(18)11-7-9-16-8-3-5-12(11)16/h2,4,6-7,12,17H,3,5,8-9H2,1H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313163 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313165 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Oc1ccccc1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:10| Show InChI InChI=1S/C15H17NO2/c17-14-8-2-1-5-12(14)15(18)11-6-3-9-16-10-4-7-13(11)16/h1-2,5-6,8,13,17H,3-4,7,9-10H2/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313165 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Oc1ccccc1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:10| Show InChI InChI=1S/C15H17NO2/c17-14-8-2-1-5-12(14)15(18)11-6-3-9-16-10-4-7-13(11)16/h1-2,5-6,8,13,17H,3-4,7,9-10H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313163 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313167 ((S,E)-(2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]aze...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C17H21NO2/c1-12-6-4-9-15(19)16(12)17(20)13-7-2-3-10-18-11-5-8-14(13)18/h4,6-7,9,14,19H,2-3,5,8,10-11H2,1H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313165 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Oc1ccccc1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:10| Show InChI InChI=1S/C15H17NO2/c17-14-8-2-1-5-12(14)15(18)11-6-3-9-16-10-4-7-13(11)16/h1-2,5-6,8,13,17H,3-4,7,9-10H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313166 ((S)-(2-hydroxy-6-methylphenyl)(2,3,5,7a-tetrahydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C15H17NO2/c1-10-4-2-6-13(17)14(10)15(18)11-7-9-16-8-3-5-12(11)16/h2,4,6-7,12,17H,3,5,8-9H2,1H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313164 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-metho...) Show SMILES COc1cccc(C)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:12| Show InChI InChI=1S/C17H21NO2/c1-12-6-3-9-15(20-2)16(12)17(19)13-7-4-10-18-11-5-8-14(13)18/h3,6-7,9,14H,4-5,8,10-11H2,1-2H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313164 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-metho...) Show SMILES COc1cccc(C)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:12| Show InChI InChI=1S/C17H21NO2/c1-12-6-3-9-15(20-2)16(12)17(19)13-7-4-10-18-11-5-8-14(13)18/h3,6-7,9,14H,4-5,8,10-11H2,1-2H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair