Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for entry = 50016895   

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))	BDBM50174961 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2ccccc2O1 Show InChI InChI=1S/C22H26N2O3/c1-23(22(26)21-13-17-9-5-6-10-20(17)27-21)19(16-7-3-2-4-8-16)15-24-12-11-18(25)14-24/h2-10,18-19,21,25H,11-15H2,1H3/t18-,19+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174963 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cc(NS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-6-4-3-5-7-16)15-26-11-10-19(27)14-26)23(28)22-13-17-12-18(24-32(2,29)30)8-9-21(17)31-22/h3-9,12,19-20,22,24,27H,10-11,13-15H2,1-2H3/t19-,20+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174967 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2cc(NS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-6-4-3-5-7-16)15-26-11-10-19(27)14-26)23(28)22-13-17-12-18(24-32(2,29)30)8-9-21(17)31-22/h3-9,12,19-20,22,24,27H,10-11,13-15H2,1-2H3/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174957 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2cccc(NS(C)(=O)=O)c2O1 Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-7-4-3-5-8-16)15-26-12-11-18(27)14-26)23(28)21-13-17-9-6-10-19(22(17)31-21)24-32(2,29)30/h3-10,18,20-21,24,27H,11-15H2,1-2H3/t18-,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174964 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CCCS(=O)(=O)Nc1ccc2O[C@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H35N3O5S/c1-3-15-35(32,33)27-21-10-12-24-20(16-21)9-11-25(34-24)26(31)28(2)23(19-7-5-4-6-8-19)18-29-14-13-22(30)17-29/h4-8,10,12,16,22-23,25,27,30H,3,9,11,13-15,17-18H2,1-2H3/t22-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174956 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2ccccc2O1 Show InChI InChI=1S/C23H28N2O3/c1-24(23(27)22-12-11-18-9-5-6-10-21(18)28-22)20(17-7-3-2-4-8-17)16-25-14-13-19(26)15-25/h2-10,19-20,22,26H,11-16H2,1H3/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174949 (CHEMBL371685 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(NS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C24H31N3O5S/c1-26(21(17-6-4-3-5-7-17)16-27-13-12-20(28)15-27)24(29)23-10-8-18-14-19(25-33(2,30)31)9-11-22(18)32-23/h3-7,9,11,14,20-21,23,25,28H,8,10,12-13,15-16H2,1-2H3/t20-,21+,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	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174955 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2ccccc2O1 Show InChI InChI=1S/C22H26N2O3/c1-23(22(26)21-13-17-9-5-6-10-20(17)27-21)19(16-7-3-2-4-8-16)15-24-12-11-18(25)14-24/h2-10,18-19,21,25H,11-15H2,1H3/t18-,19+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174960 (CHEMBL197070 | methyl ((R)-2-(((S)-2-((S)-3-hydrox...) Show SMILES COC(=O)NCc1ccc2O[C@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H33N3O5/c1-28(22(19-6-4-3-5-7-19)17-29-13-12-21(30)16-29)25(31)24-11-9-20-14-18(8-10-23(20)34-24)15-27-26(32)33-2/h3-8,10,14,21-22,24,30H,9,11-13,15-17H2,1-2H3,(H,27,32)/t21-,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174950 (6-Sulfamoyl-chroman-2-carboxylic acid [(S)-2-((S)-...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(ccc2O1)S(N)(=O)=O Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-5-3-2-4-6-16)15-26-12-11-18(27)14-26)23(28)22-9-7-17-13-19(32(24,29)30)8-10-21(17)31-22/h2-6,8,10,13,18,20,22,27H,7,9,11-12,14-15H2,1H3,(H2,24,29,30)/t18-,20+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174944 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CCCS(=O)(=O)NCc1ccc2O[C@@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H35N3O5S/c1-3-13-35(32,33)27-16-19-9-10-24-21(14-19)15-25(34-24)26(31)28(2)23(20-7-5-4-6-8-20)18-29-12-11-22(30)17-29/h4-10,14,22-23,25,27,30H,3,11-13,15-18H2,1-2H3/t22-,23+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174945 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CCCS(=O)(=O)NCc1ccc2O[C@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H35N3O5S/c1-3-13-35(32,33)27-16-19-9-10-24-21(14-19)15-25(34-24)26(31)28(2)23(20-7-5-4-6-8-20)18-29-12-11-22(30)17-29/h4-10,14,22-23,25,27,30H,3,11-13,15-18H2,1-2H3/t22-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174948 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2cccc(NS(C)(=O)=O)c2O1 Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-7-4-3-5-8-16)15-26-12-11-18(27)14-26)23(28)21-13-17-9-6-10-19(22(17)31-21)24-32(2,29)30/h3-10,18,20-21,24,27H,11-15H2,1-2H3/t18-,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174968 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C25H33N3O5S/c1-27(22(19-6-4-3-5-7-19)17-28-13-12-21(29)16-28)25(30)24-11-9-20-14-18(8-10-23(20)33-24)15-26-34(2,31)32/h3-8,10,14,21-22,24,26,29H,9,11-13,15-17H2,1-2H3/t21-,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174962 (CHEMBL197126 | methyl (S)-2-(((S)-2-((S)-3-hydroxy...) Show SMILES COC(=O)Nc1ccc2O[C@@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C24H29N3O5/c1-26(20(16-6-4-3-5-7-16)15-27-11-10-19(28)14-27)23(29)22-13-17-12-18(25-24(30)31-2)8-9-21(17)32-22/h3-9,12,19-20,22,28H,10-11,13-15H2,1-2H3,(H,25,30)/t19-,20+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174952 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CCCS(=O)(=O)Nc1ccc2O[C@@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H35N3O5S/c1-3-15-35(32,33)27-21-10-12-24-20(16-21)9-11-25(34-24)26(31)28(2)23(19-7-5-4-6-8-19)18-29-14-13-22(30)17-29/h4-8,10,12,16,22-23,25,27,30H,3,9,11,13-15,17-18H2,1-2H3/t22-,23+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174947 (CHEMBL198487 | methyl (R)-2-(((S)-2-((S)-3-hydroxy...) Show SMILES COC(=O)Nc1ccc2O[C@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C24H29N3O5/c1-26(20(16-6-4-3-5-7-16)15-27-11-10-19(28)14-27)23(29)22-13-17-12-18(25-24(30)31-2)8-9-21(17)32-22/h3-9,12,19-20,22,28H,10-11,13-15H2,1-2H3,(H,25,30)/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174943 (6-acetamido-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(NC(C)=O)ccc2O1 Show InChI InChI=1S/C25H31N3O4/c1-17(29)26-20-9-11-23-19(14-20)8-10-24(32-23)25(31)27(2)22(18-6-4-3-5-7-18)16-28-13-12-21(30)15-28/h3-7,9,11,14,21-22,24,30H,8,10,12-13,15-16H2,1-2H3,(H,26,29)/t21-,22+,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174966 (6-Methylsulfamoyl-chroman-2-carboxylic acid [(S)-2...) Show SMILES CNS(=O)(=O)c1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C24H31N3O5S/c1-25-33(30,31)20-9-11-22-18(14-20)8-10-23(32-22)24(29)26(2)21(17-6-4-3-5-7-17)16-27-13-12-19(28)15-27/h3-7,9,11,14,19,21,23,25,28H,8,10,12-13,15-16H2,1-2H3/t19-,21+,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	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174965 (5-Methylsulfamoyl-2,3-dihydro-benzofuran-2-carboxy...) Show SMILES CNS(=O)(=O)c1ccc2OC(Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C23H29N3O5S/c1-24-32(29,30)19-8-9-21-17(12-19)13-22(31-21)23(28)25(2)20(16-6-4-3-5-7-16)15-26-11-10-18(27)14-26/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3/t18-,20+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174958 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1CCc2ccccc2O1 Show InChI InChI=1S/C23H28N2O3/c1-24(23(27)22-12-11-18-9-5-6-10-21(18)28-22)20(17-7-3-2-4-8-17)16-25-14-13-19(26)15-25/h2-10,19-20,22,26H,11-16H2,1H3/t19-,20+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174946 (CHEMBL197293 | methyl 2-(((S)-2-((S)-3-hydroxypyrr...) Show SMILES COC(=O)Nc1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C25H31N3O5/c1-27(21(17-6-4-3-5-7-17)16-28-13-12-20(29)15-28)24(30)23-10-8-18-14-19(26-25(31)32-2)9-11-22(18)33-23/h3-7,9,11,14,20-21,23,29H,8,10,12-13,15-16H2,1-2H3,(H,26,31)/t20-,21+,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	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174953 (5-acetamido-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1Cc2cc(NC(C)=O)ccc2O1 Show InChI InChI=1S/C24H29N3O4/c1-16(28)25-19-8-9-22-18(12-19)13-23(31-22)24(30)26(2)21(17-6-4-3-5-7-17)15-27-11-10-20(29)14-27/h3-9,12,20-21,23,29H,10-11,13-15H2,1-2H3,(H,25,28)/t20-,21+,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	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174954 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C25H33N3O5S/c1-27(22(19-6-4-3-5-7-19)17-28-13-12-21(29)16-28)25(30)24-11-9-20-14-18(8-10-23(20)33-24)15-26-34(2,31)32/h3-8,10,14,21-22,24,26,29H,9,11-13,15-17H2,1-2H3/t21-,22+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174959 (CHEMBL196813 | methyl ((S)-2-(((S)-2-((S)-3-hydrox...) Show SMILES COC(=O)NCc1ccc2O[C@@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H33N3O5/c1-28(22(19-6-4-3-5-7-19)17-29-13-12-21(30)16-29)25(31)24-11-9-20-14-18(8-10-23(20)34-24)15-27-26(32)33-2/h3-8,10,14,21-22,24,30H,9,11-13,15-17H2,1-2H3,(H,27,32)/t21-,22+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174951 (CHEMBL200478 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C22H24N2O3/c1-23(22(26)21-13-17-9-5-6-10-20(17)27-21)19(16-7-3-2-4-8-16)15-24-12-11-18(25)14-24/h2-10,13,18-19,25H,11-12,14-15H2,1H3/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at kappa opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50174943 (6-acetamido-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(NC(C)=O)ccc2O1 Show InChI InChI=1S/C25H31N3O4/c1-17(29)26-20-9-11-23-19(14-20)8-10-24(32-23)25(31)27(2)22(18-6-4-3-5-7-18)16-28-13-12-21(30)15-28/h3-7,9,11,14,21-22,24,30H,8,10,12-13,15-16H2,1-2H3,(H,26,29)/t21-,22+,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at delta opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50174946 (CHEMBL197293 | methyl 2-(((S)-2-((S)-3-hydroxypyrr...) Show SMILES COC(=O)Nc1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C25H31N3O5/c1-27(21(17-6-4-3-5-7-17)16-28-13-12-20(29)15-28)24(30)23-10-8-18-14-19(26-25(31)32-2)9-11-22(18)33-23/h3-7,9,11,14,20-21,23,29H,8,10,12-13,15-16H2,1-2H3,(H,26,31)/t20-,21+,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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at delta opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50174947 (CHEMBL198487 | methyl (R)-2-(((S)-2-((S)-3-hydroxy...) Show SMILES COC(=O)Nc1ccc2O[C@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C24H29N3O5/c1-26(20(16-6-4-3-5-7-16)15-27-11-10-19(28)14-27)23(29)22-13-17-12-18(25-24(30)31-2)8-9-21(17)32-22/h3-9,12,19-20,22,28H,10-11,13-15H2,1-2H3,(H,25,30)/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at delta opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50174951 (CHEMBL200478 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C22H24N2O3/c1-23(22(26)21-13-17-9-5-6-10-20(17)27-21)19(16-7-3-2-4-8-16)15-24-12-11-18(25)14-24/h2-10,13,18-19,25H,11-12,14-15H2,1H3/t18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at delta opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50174953 (5-acetamido-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1Cc2cc(NC(C)=O)ccc2O1 Show InChI InChI=1S/C24H29N3O4/c1-16(28)25-19-8-9-22-18(12-19)13-23(31-22)24(30)26(2)21(17-6-4-3-5-7-17)15-27-11-10-20(29)14-27/h3-9,12,20-21,23,29H,10-11,13-15H2,1-2H3,(H,25,28)/t20-,21+,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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at delta opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50174956 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2ccccc2O1 Show InChI InChI=1S/C23H28N2O3/c1-24(23(27)22-12-11-18-9-5-6-10-21(18)28-22)20(17-7-3-2-4-8-17)16-25-14-13-19(26)15-25/h2-10,19-20,22,26H,11-16H2,1H3/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at delta opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174949 (CHEMBL371685 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(NS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C24H31N3O5S/c1-26(21(17-6-4-3-5-7-17)16-27-13-12-20(28)15-27)24(29)23-10-8-18-14-19(25-33(2,30)31)9-11-22(18)32-23/h3-7,9,11,14,20-21,23,25,28H,8,10,12-13,15-16H2,1-2H3/t20-,21+,23?/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174951 (CHEMBL200478 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C22H24N2O3/c1-23(22(26)21-13-17-9-5-6-10-20(17)27-21)19(16-7-3-2-4-8-16)15-24-12-11-18(25)14-24/h2-10,13,18-19,25H,11-12,14-15H2,1H3/t18-,19+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174954 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C25H33N3O5S/c1-27(22(19-6-4-3-5-7-19)17-28-13-12-21(29)16-28)25(30)24-11-9-20-14-18(8-10-23(20)33-24)15-26-34(2,31)32/h3-8,10,14,21-22,24,26,29H,9,11-13,15-17H2,1-2H3/t21-,22+,24-/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174953 (5-acetamido-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1Cc2cc(NC(C)=O)ccc2O1 Show InChI InChI=1S/C24H29N3O4/c1-16(28)25-19-8-9-22-18(12-19)13-23(31-22)24(30)26(2)21(17-6-4-3-5-7-17)15-27-11-10-20(29)14-27/h3-9,12,20-21,23,29H,10-11,13-15H2,1-2H3,(H,25,28)/t20-,21+,23?/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174956 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2ccccc2O1 Show InChI InChI=1S/C23H28N2O3/c1-24(23(27)22-12-11-18-9-5-6-10-21(18)28-22)20(17-7-3-2-4-8-17)16-25-14-13-19(26)15-25/h2-10,19-20,22,26H,11-16H2,1H3/t19-,20+,22+/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174945 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CCCS(=O)(=O)NCc1ccc2O[C@H](Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H35N3O5S/c1-3-13-35(32,33)27-16-19-9-10-24-21(14-19)15-25(34-24)26(31)28(2)23(20-7-5-4-6-8-20)18-29-12-11-22(30)17-29/h4-10,14,22-23,25,27,30H,3,11-13,15-18H2,1-2H3/t22-,23+,25+/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174959 (CHEMBL196813 | methyl ((S)-2-(((S)-2-((S)-3-hydrox...) Show SMILES COC(=O)NCc1ccc2O[C@@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H33N3O5/c1-28(22(19-6-4-3-5-7-19)17-29-13-12-21(30)16-29)25(31)24-11-9-20-14-18(8-10-23(20)34-24)15-27-26(32)33-2/h3-8,10,14,21-22,24,30H,9,11-13,15-17H2,1-2H3,(H,27,32)/t21-,22+,24-/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174958 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1CCc2ccccc2O1 Show InChI InChI=1S/C23H28N2O3/c1-24(23(27)22-12-11-18-9-5-6-10-21(18)28-22)20(17-7-3-2-4-8-17)16-25-14-13-19(26)15-25/h2-10,19-20,22,26H,11-16H2,1H3/t19-,20+,22-/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174960 (CHEMBL197070 | methyl ((R)-2-(((S)-2-((S)-3-hydrox...) Show SMILES COC(=O)NCc1ccc2O[C@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H33N3O5/c1-28(22(19-6-4-3-5-7-19)17-29-13-12-21(30)16-29)25(31)24-11-9-20-14-18(8-10-23(20)34-24)15-27-26(32)33-2/h3-8,10,14,21-22,24,30H,9,11-13,15-17H2,1-2H3,(H,27,32)/t21-,22+,24+/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174961 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1Cc2ccccc2O1 Show InChI InChI=1S/C22H26N2O3/c1-23(22(26)21-13-17-9-5-6-10-20(17)27-21)19(16-7-3-2-4-8-16)15-24-12-11-18(25)14-24/h2-10,18-19,21,25H,11-15H2,1H3/t18-,19+,21+/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174946 (CHEMBL197293 | methyl 2-(((S)-2-((S)-3-hydroxypyrr...) Show SMILES COC(=O)Nc1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C25H31N3O5/c1-27(21(17-6-4-3-5-7-17)16-28-13-12-20(29)15-28)24(30)23-10-8-18-14-19(26-25(31)32-2)9-11-22(18)33-23/h3-7,9,11,14,20-21,23,29H,8,10,12-13,15-16H2,1-2H3,(H,26,31)/t20-,21+,23?/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174952 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CCCS(=O)(=O)Nc1ccc2O[C@@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C26H35N3O5S/c1-3-15-35(32,33)27-21-10-12-24-20(16-21)9-11-25(34-24)26(31)28(2)23(19-7-5-4-6-8-19)18-29-14-13-22(30)17-29/h4-8,10,12,16,22-23,25,27,30H,3,9,11,13-15,17-18H2,1-2H3/t22-,23+,25-/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174955 ((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@@H]1Cc2ccccc2O1 Show InChI InChI=1S/C22H26N2O3/c1-23(22(26)21-13-17-9-5-6-10-20(17)27-21)19(16-7-3-2-4-8-16)15-24-12-11-18(25)14-24/h2-10,18-19,21,25H,11-15H2,1H3/t18-,19+,21-/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174966 (6-Methylsulfamoyl-chroman-2-carboxylic acid [(S)-2...) Show SMILES CNS(=O)(=O)c1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C24H31N3O5S/c1-25-33(30,31)20-9-11-22-18(14-20)8-10-23(32-22)24(29)26(2)21(17-6-4-3-5-7-17)16-27-13-12-19(28)15-27/h3-7,9,11,14,19,21,23,25,28H,8,10,12-13,15-16H2,1-2H3/t19-,21+,23?/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174965 (5-Methylsulfamoyl-2,3-dihydro-benzofuran-2-carboxy...) Show SMILES CNS(=O)(=O)c1ccc2OC(Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C23H29N3O5S/c1-24-32(29,30)19-8-9-21-17(12-19)13-22(31-21)23(28)25(2)20(16-6-4-3-5-7-16)15-26-11-10-18(27)14-26/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3/t18-,20+,22?/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174968 ((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C25H33N3O5S/c1-27(22(19-6-4-3-5-7-19)17-28-13-12-21(29)16-28)25(30)24-11-9-20-14-18(8-10-23(20)33-24)15-26-34(2,31)32/h3-8,10,14,21-22,24,26,29H,9,11-13,15-17H2,1-2H3/t21-,22+,24+/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50174943 (6-acetamido-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl...) Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(NC(C)=O)ccc2O1 Show InChI InChI=1S/C25H31N3O4/c1-17(29)26-20-9-11-23-19(14-20)8-10-24(32-23)25(31)27(2)22(18-6-4-3-5-7-18)16-28-13-12-21(30)15-28/h3-7,9,11,14,21-22,24,30H,8,10,12-13,15-16H2,1-2H3,(H,26,29)/t21-,22+,24?/m0/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonistic activity at mu opioid receptor				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50174965 (5-Methylsulfamoyl-2,3-dihydro-benzofuran-2-carboxy...) Show SMILES CNS(=O)(=O)c1ccc2OC(Cc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1 Show InChI InChI=1S/C23H29N3O5S/c1-24-32(29,30)19-8-9-21-17(12-19)13-22(31-21)23(28)25(2)20(16-6-4-3-5-7-16)15-26-11-10-18(27)14-26/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3/t18-,20+,22?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibitory activity against CYP2D6				Bioorg Med Chem Lett 15: 5114-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H
					More data for this Ligand-Target Pair

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