Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50030630   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299393 (4-((1-benzylpiperidin-4-yl)(3-carbamoylphenyl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-13-15-26(16-14-24)34(28-12-8-11-25(21-28)29(31)35)27-17-19-32(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22H2,1-2H3,(H2,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299390 (CHEMBL574640 | Methyl 3-((1-benzylpiperidin-4-yl)(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(=O)OC)c1 Show InChI InChI=1S/C31H38N4O3/c1-4-34(5-2)30(36)25-14-16-27(17-15-25)35(29-13-9-12-26(22-29)32-31(37)38-3)28-18-20-33(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28H,4-5,18-21,23H2,1-3H3,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299385 (4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C29H35N3O2/c1-3-31(4-2)29(34)24-13-15-25(16-14-24)32(27-11-8-12-28(33)21-27)26-17-19-30(20-18-26)22-23-9-6-5-7-10-23/h5-16,21,26,33H,3-4,17-20,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299389 (4-((1-benzylpiperidin-4-yl)(3-(methylsulfonamido)p...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C30H38N4O3S/c1-4-33(5-2)30(35)25-14-16-27(17-15-25)34(29-13-9-12-26(22-29)31-38(3,36)37)28-18-20-32(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28,31H,4-5,18-21,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299382 (4-((3-acetylphenyl)(1-benzylpiperidin-4-yl)amino)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)=O Show InChI InChI=1S/C31H37N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299388 (4-((3-acetamidophenyl)(1-benzylpiperidin-4-yl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C31H38N4O2/c1-4-34(5-2)31(37)26-14-16-28(17-15-26)35(30-13-9-12-27(22-30)32-24(3)36)29-18-20-33(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299391 (4-((3-aminophenyl)(1-benzylpiperidin-4-yl)amino)-N...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(N)c1 Show InChI InChI=1S/C29H36N4O/c1-3-32(4-2)29(34)24-13-15-26(16-14-24)33(28-12-8-11-25(30)21-28)27-17-19-31(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22,30H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299384 (4-((1-benzylpiperidin-4-yl)(3-formylphenyl)amino)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(C=O)c1 Show InChI InChI=1S/C30H35N3O2/c1-3-32(4-2)30(35)26-13-15-27(16-14-26)33(29-12-8-11-25(21-29)23-34)28-17-19-31(20-18-28)22-24-9-6-5-7-10-24/h5-16,21,23,28H,3-4,17-20,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299396 (4-((1-benzylpiperidin-4-yl)(3-(hydroxymethyl)pheny...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CO)c1 Show InChI InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)26-13-15-27(16-14-26)33(29-12-8-11-25(21-29)23-34)28-17-19-31(20-18-28)22-24-9-6-5-7-10-24/h5-16,21,28,34H,3-4,17-20,22-23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299392 (4-((1-benzylpiperidin-4-yl)(3-(methylcarbamoyl)phe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(=O)NC Show InChI InChI=1S/C31H38N4O2/c1-4-34(5-2)31(37)25-14-16-27(17-15-25)35(29-13-9-12-26(22-29)30(36)32-3)28-18-20-33(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28H,4-5,18-21,23H2,1-3H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299386 (4-((1-benzylpiperidin-4-yl)(4-carbamoylphenyl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)25-12-16-27(17-13-25)34(26-14-10-24(11-15-26)29(31)35)28-18-20-32(21-19-28)22-23-8-6-5-7-9-23/h5-17,28H,3-4,18-22H2,1-2H3,(H2,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299395 (4-((1-benzylpiperidin-4-yl)(3-((dimethylamino)meth...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN(C)C)c1 Show InChI InChI=1S/C32H42N4O/c1-5-35(6-2)32(37)28-15-17-29(18-16-28)36(31-14-10-13-27(23-31)24-33(3)4)30-19-21-34(22-20-30)25-26-11-8-7-9-12-26/h7-18,23,30H,5-6,19-22,24-25H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299387 (4-((1-benzylpiperidin-4-yl)(2-carbamoylphenyl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-14-16-25(17-15-24)34(28-13-9-8-12-27(28)29(31)35)26-18-20-32(21-19-26)22-23-10-6-5-7-11-23/h5-17,26H,3-4,18-22H2,1-2H3,(H2,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299394 (CHEMBL575926 | Methyl 3-((1-benzylpiperidin-4-yl)(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(=O)OC Show InChI InChI=1S/C31H37N3O3/c1-4-33(5-2)30(35)25-14-16-27(17-15-25)34(29-13-9-12-26(22-29)31(36)37-3)28-18-20-32(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28H,4-5,18-21,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299390 (CHEMBL574640 | Methyl 3-((1-benzylpiperidin-4-yl)(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(=O)OC)c1 Show InChI InChI=1S/C31H38N4O3/c1-4-34(5-2)30(36)25-14-16-27(17-15-25)35(29-13-9-12-26(22-29)32-31(37)38-3)28-18-20-33(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28H,4-5,18-21,23H2,1-3H3,(H,32,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299383 (4-((1-benzylpiperidin-4-yl)(3-(1-hydroxyethyl)phen...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)O Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,24,29,35H,4-5,18-21,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299385 (4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C29H35N3O2/c1-3-31(4-2)29(34)24-13-15-25(16-14-24)32(27-11-8-12-28(33)21-27)26-17-19-30(20-18-26)22-23-9-6-5-7-10-23/h5-16,21,26,33H,3-4,17-20,22H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299397 (3-((1-benzylpiperidin-4-yl)(4-(diethylcarbamoyl)ph...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(=O)N(C)C Show InChI InChI=1S/C32H40N4O2/c1-5-35(6-2)32(38)26-15-17-28(18-16-26)36(30-14-10-13-27(23-30)31(37)33(3)4)29-19-21-34(22-20-29)24-25-11-8-7-9-12-25/h7-18,23,29H,5-6,19-22,24H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299393 (4-((1-benzylpiperidin-4-yl)(3-carbamoylphenyl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-13-15-26(16-14-24)34(28-12-8-11-25(21-28)29(31)35)27-17-19-32(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22H2,1-2H3,(H2,31,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299399 (4-((1-benzylpiperidin-4-yl)(3-((methylamino)methyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CNC)c1 Show InChI InChI=1S/C31H40N4O/c1-4-34(5-2)31(36)27-14-16-28(17-15-27)35(30-13-9-12-26(22-30)23-32-3)29-18-20-33(21-19-29)24-25-10-7-6-8-11-25/h6-17,22,29,32H,4-5,18-21,23-24H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	435	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299381 (4-((3-(aminomethyl)phenyl)(1-benzylpiperidin-4-yl)...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN)c1 Show InChI InChI=1S/C30H38N4O/c1-3-33(4-2)30(35)26-13-15-27(16-14-26)34(29-12-8-11-25(21-29)22-31)28-17-19-32(20-18-28)23-24-9-6-5-7-10-24/h5-16,21,28H,3-4,17-20,22-23,31H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299389 (4-((1-benzylpiperidin-4-yl)(3-(methylsulfonamido)p...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C30H38N4O3S/c1-4-33(5-2)30(35)25-14-16-27(17-15-25)34(29-13-9-12-26(22-29)31-38(3,36)37)28-18-20-32(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28,31H,4-5,18-21,23H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	462	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299386 (4-((1-benzylpiperidin-4-yl)(4-carbamoylphenyl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)25-12-16-27(17-13-25)34(26-14-10-24(11-15-26)29(31)35)28-18-20-32(21-19-28)22-23-8-6-5-7-9-23/h5-17,28H,3-4,18-22H2,1-2H3,(H2,31,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	486	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299390 (CHEMBL574640 | Methyl 3-((1-benzylpiperidin-4-yl)(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(=O)OC)c1 Show InChI InChI=1S/C31H38N4O3/c1-4-34(5-2)30(36)25-14-16-27(17-15-25)35(29-13-9-12-26(22-29)32-31(37)38-3)28-18-20-33(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28H,4-5,18-21,23H2,1-3H3,(H,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	576	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299393 (4-((1-benzylpiperidin-4-yl)(3-carbamoylphenyl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-13-15-26(16-14-24)34(28-12-8-11-25(21-28)29(31)35)27-17-19-32(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22H2,1-2H3,(H2,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	725	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299385 (4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C29H35N3O2/c1-3-31(4-2)29(34)24-13-15-25(16-14-24)32(27-11-8-12-28(33)21-27)26-17-19-30(20-18-26)22-23-9-6-5-7-10-23/h5-16,21,26,33H,3-4,17-20,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	744	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299381 (4-((3-(aminomethyl)phenyl)(1-benzylpiperidin-4-yl)...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN)c1 Show InChI InChI=1S/C30H38N4O/c1-3-33(4-2)30(35)26-13-15-27(16-14-26)34(29-12-8-11-25(21-29)22-31)28-17-19-32(20-18-28)23-24-9-6-5-7-10-24/h5-16,21,28H,3-4,17-20,22-23,31H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	831	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299388 (4-((3-acetamidophenyl)(1-benzylpiperidin-4-yl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C31H38N4O2/c1-4-34(5-2)31(37)26-14-16-28(17-15-26)35(30-13-9-12-27(22-30)32-24(3)36)29-18-20-33(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3,(H,32,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299384 (4-((1-benzylpiperidin-4-yl)(3-formylphenyl)amino)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(C=O)c1 Show InChI InChI=1S/C30H35N3O2/c1-3-32(4-2)30(35)26-13-15-27(16-14-26)33(29-12-8-11-25(21-29)23-34)28-17-19-31(20-18-28)22-24-9-6-5-7-10-24/h5-16,21,23,28H,3-4,17-20,22H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50299398 (3-((1-benzylpiperidin-4-yl)(4-(diethylcarbamoyl)ph...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(O)=O Show InChI InChI=1S/C30H35N3O3/c1-3-32(4-2)29(34)24-13-15-26(16-14-24)33(28-12-8-11-25(21-28)30(35)36)27-17-19-31(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22H2,1-2H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299382 (4-((3-acetylphenyl)(1-benzylpiperidin-4-yl)amino)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)=O Show InChI InChI=1S/C31H37N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299395 (4-((1-benzylpiperidin-4-yl)(3-((dimethylamino)meth...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN(C)C)c1 Show InChI InChI=1S/C32H42N4O/c1-5-35(6-2)32(37)28-15-17-29(18-16-28)36(31-14-10-13-27(23-31)24-33(3)4)30-19-21-34(22-20-30)25-26-11-8-7-9-12-26/h7-18,23,30H,5-6,19-22,24-25H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299391 (4-((3-aminophenyl)(1-benzylpiperidin-4-yl)amino)-N...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(N)c1 Show InChI InChI=1S/C29H36N4O/c1-3-32(4-2)29(34)24-13-15-26(16-14-24)33(28-12-8-11-25(30)21-28)27-17-19-31(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22,30H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299381 (4-((3-(aminomethyl)phenyl)(1-benzylpiperidin-4-yl)...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN)c1 Show InChI InChI=1S/C30H38N4O/c1-3-33(4-2)30(35)26-13-15-27(16-14-26)34(29-12-8-11-25(21-29)22-31)28-17-19-32(20-18-28)23-24-9-6-5-7-10-24/h5-16,21,28H,3-4,17-20,22-23,31H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299389 (4-((1-benzylpiperidin-4-yl)(3-(methylsulfonamido)p...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C30H38N4O3S/c1-4-33(5-2)30(35)25-14-16-27(17-15-25)34(29-13-9-12-26(22-29)31-38(3,36)37)28-18-20-32(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28,31H,4-5,18-21,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299383 (4-((1-benzylpiperidin-4-yl)(3-(1-hydroxyethyl)phen...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)O Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,24,29,35H,4-5,18-21,23H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299396 (4-((1-benzylpiperidin-4-yl)(3-(hydroxymethyl)pheny...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CO)c1 Show InChI InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)26-13-15-27(16-14-26)33(29-12-8-11-25(21-29)23-34)28-17-19-31(20-18-28)22-24-9-6-5-7-10-24/h5-16,21,28,34H,3-4,17-20,22-23H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299395 (4-((1-benzylpiperidin-4-yl)(3-((dimethylamino)meth...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CN(C)C)c1 Show InChI InChI=1S/C32H42N4O/c1-5-35(6-2)32(37)28-15-17-29(18-16-28)36(31-14-10-13-27(23-31)24-33(3)4)30-19-21-34(22-20-30)25-26-11-8-7-9-12-26/h7-18,23,30H,5-6,19-22,24-25H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299391 (4-((3-aminophenyl)(1-benzylpiperidin-4-yl)amino)-N...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(N)c1 Show InChI InChI=1S/C29H36N4O/c1-3-32(4-2)29(34)24-13-15-26(16-14-24)33(28-12-8-11-25(30)21-28)27-17-19-31(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22,30H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299382 (4-((3-acetylphenyl)(1-benzylpiperidin-4-yl)amino)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)=O Show InChI InChI=1S/C31H37N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299392 (4-((1-benzylpiperidin-4-yl)(3-(methylcarbamoyl)phe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(=O)NC Show InChI InChI=1S/C31H38N4O2/c1-4-34(5-2)31(37)25-14-16-27(17-15-25)35(29-13-9-12-26(22-29)30(36)32-3)28-18-20-33(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28H,4-5,18-21,23H2,1-3H3,(H,32,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299383 (4-((1-benzylpiperidin-4-yl)(3-(1-hydroxyethyl)phen...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(C)O Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,24,29,35H,4-5,18-21,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299384 (4-((1-benzylpiperidin-4-yl)(3-formylphenyl)amino)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(C=O)c1 Show InChI InChI=1S/C30H35N3O2/c1-3-32(4-2)30(35)26-13-15-27(16-14-26)33(29-12-8-11-25(21-29)23-34)28-17-19-31(20-18-28)22-24-9-6-5-7-10-24/h5-16,21,23,28H,3-4,17-20,22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299387 (4-((1-benzylpiperidin-4-yl)(2-carbamoylphenyl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-14-16-25(17-15-24)34(28-13-9-8-12-27(28)29(31)35)26-18-20-32(21-19-26)22-23-10-6-5-7-11-23/h5-17,26H,3-4,18-22H2,1-2H3,(H2,31,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299394 (CHEMBL575926 | Methyl 3-((1-benzylpiperidin-4-yl)(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(=O)OC Show InChI InChI=1S/C31H37N3O3/c1-4-33(5-2)30(35)25-14-16-27(17-15-25)34(29-13-9-12-26(22-29)31(36)37-3)28-18-20-32(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28H,4-5,18-21,23H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299386 (4-((1-benzylpiperidin-4-yl)(4-carbamoylphenyl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)25-12-16-27(17-13-25)34(26-14-10-24(11-15-26)29(31)35)28-18-20-32(21-19-28)22-23-8-6-5-7-9-23/h5-17,28H,3-4,18-22H2,1-2H3,(H2,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299396 (4-((1-benzylpiperidin-4-yl)(3-(hydroxymethyl)pheny...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(CO)c1 Show InChI InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)26-13-15-27(16-14-26)33(29-12-8-11-25(21-29)23-34)28-17-19-31(20-18-28)22-24-9-6-5-7-10-24/h5-16,21,28,34H,3-4,17-20,22-23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50299394 (CHEMBL575926 | Methyl 3-((1-benzylpiperidin-4-yl)(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(=O)OC Show InChI InChI=1S/C31H37N3O3/c1-4-33(5-2)30(35)25-14-16-27(17-15-25)34(29-13-9-12-26(22-29)31(36)37-3)28-18-20-32(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28H,4-5,18-21,23H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299388 (4-((3-acetamidophenyl)(1-benzylpiperidin-4-yl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C31H38N4O2/c1-4-34(5-2)31(37)26-14-16-28(17-15-26)35(30-13-9-12-27(22-30)32-24(3)36)29-18-20-33(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,29H,4-5,18-21,23H2,1-3H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50299387 (4-((1-benzylpiperidin-4-yl)(2-carbamoylphenyl)amin...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1C(N)=O Show InChI InChI=1S/C30H36N4O2/c1-3-33(4-2)30(36)24-14-16-25(17-15-24)34(28-13-9-8-12-27(28)29(31)35)26-18-20-32(21-19-26)22-23-10-6-5-7-11-23/h5-17,26H,3-4,18-22H2,1-2H3,(H2,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 5999-6003 (2009) Article DOI: 10.1016/j.bmcl.2009.09.068 BindingDB Entry DOI: 10.7270/Q2XP7512
					More data for this Ligand-Target Pair

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