Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50026044   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/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	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50239749 (2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...) Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50260633 ((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...) Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50239749 (2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...) Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50260633 ((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...) Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50239745 (2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C18H27ClN4OS/c1-3-13(4-2)25-18-20-15-11-14(19)17(12-16(15)21-18)23-7-5-22(6-8-23)9-10-24/h11-13,24H,3-10H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50260633 ((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...) Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50260630 (2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)C1 Show InChI InChI=1S/C19H29ClN4OS/c1-4-14(5-2)26-19-21-16-10-15(20)18(11-17(16)22-19)24-7-6-23(8-9-25)13(3)12-24/h10-11,13-14,25H,4-9,12H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50239745 (2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C18H27ClN4OS/c1-3-13(4-2)25-18-20-15-11-14(19)17(12-16(15)21-18)23-7-5-22(6-8-23)9-10-24/h11-13,24H,3-10H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) Show SMILES CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50260632 (2-((1S,4S)-5-(6-chloro-2-(pentan-3-ylthio)-3H-benz...) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1C[C@@H]2C[C@H]1CN2CCO |r| Show InChI InChI=1S/C19H27ClN4OS/c1-3-14(4-2)26-19-21-16-8-15(20)18(9-17(16)22-19)24-11-12-7-13(24)10-23(12)5-6-25/h8-9,12-14,25H,3-7,10-11H2,1-2H3,(H,21,22)/t12-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) Show SMILES CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50260630 (2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)C1 Show InChI InChI=1S/C19H29ClN4OS/c1-4-14(5-2)26-19-21-16-10-15(20)18(11-17(16)22-19)24-7-6-23(8-9-25)13(3)12-24/h10-11,13-14,25H,4-9,12H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50260633 ((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...) Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/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	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50260632 (2-((1S,4S)-5-(6-chloro-2-(pentan-3-ylthio)-3H-benz...) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1C[C@@H]2C[C@H]1CN2CCO |r| Show InChI InChI=1S/C19H27ClN4OS/c1-3-14(4-2)26-19-21-16-8-15(20)18(9-17(16)22-19)24-11-12-7-13(24)10-23(12)5-6-25/h8-9,12-14,25H,3-7,10-11H2,1-2H3,(H,21,22)/t12-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50260631 (2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)(C)C1 Show InChI InChI=1S/C20H31ClN4OS/c1-5-14(6-2)27-19-22-16-11-15(21)18(12-17(16)23-19)24-7-8-25(9-10-26)20(3,4)13-24/h11-12,14,26H,5-10,13H2,1-4H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50260633 ((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...) Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/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	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50260631 (2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)(C)C1 Show InChI InChI=1S/C20H31ClN4OS/c1-5-14(6-2)27-19-22-16-11-15(21)18(12-17(16)23-19)24-7-8-25(9-10-26)20(3,4)13-24/h11-12,14,26H,5-10,13H2,1-4H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1	PDB NCI pathway 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	97	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) Show SMILES CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/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	180	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50260633 ((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...) Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) Show SMILES CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1	PDB NCI pathway 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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50239754 (2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...) Show SMILES CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50260633 ((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...) Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50260633 ((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...) Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair