Compile Data Set for Download or QSAR

Found 276 hits with Last Name = 'burgess' and Initial = 'jp'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50176988 (8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...) Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.000350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				J Med Chem 51: 3526-39 (2008) Article DOI: 10.1021/jm8000778 BindingDB Entry DOI: 10.7270/Q29K4B0X
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86812 (CAS_45263784 | NSC_45263784 | rac-2-(6-fluoro-5-(4...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:11:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50100717 (2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...) Show SMILES C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86815 (CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...) Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86816 (CAS_45263769 | NSC_45263769 | rac-2-(5-(4-chloroph...) Show SMILES Fc1ncc(cc1-c1ccc(Cl)cc1)C1CC2CCC1N2 |TLB:4:14:17.18:20| Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86810 (CAS_45266065 | NSC_45266065 | rac-2-(6-fluoro-5-(3...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:11:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86805 (CAS_45263788 | NSC_45263788 | US9150581, RTI-7527-...) Show SMILES Fc1ncc(cc1-c1cccc(Cl)c1)C1CC2CCC1N2 |TLB:4:14:17.18:20| Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86819 (CAS_45263772 | NSC_45263772 | rac-2-(6-fluoro-5-(3...) Show SMILES Fc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86817 (CAS_45263779 | NSC_45263779 | rac-4-(5-(7-aza-bicy...) Show SMILES Nc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H18FN3/c18-17-15(10-1-3-12(19)4-2-10)7-11(9-20-17)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8,19H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86807 (CAS_45263775 | NSC_45263775 | rac-3-(5-(7-aza-bicy...) Show SMILES Nc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20| Show InChI InChI=1S/C17H18FN3/c18-17-15(10-2-1-3-12(19)6-10)7-11(9-20-17)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8,19H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86818 (CAS_45266054 | NSC_45266054 | rac-2-(6-fluoro-5-(3...) Show SMILES COc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21| Show InChI InChI=1S/C18H19FN2O/c1-22-14-4-2-3-11(7-14)16-8-12(10-20-18(16)19)15-9-13-5-6-17(15)21-13/h2-4,7-8,10,13,15,17,21H,5-6,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50166908 (5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...) Show SMILES C1C2CNCC1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86809 (3'-(4-fluorophenyl)deschloroepibatidine | CAS_...) Show SMILES Fc1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19| Show InChI InChI=1S/C17H17FN2/c18-14-3-1-11(2-4-14)12-7-13(10-19-9-12)16-8-15-5-6-17(16)20-15/h1-4,7,9-10,15-17,20H,5-6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86820 (CAS_45263774 | NSC_45263774 | rac-3'-(3-chloro...) Show SMILES Clc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19| Show InChI InChI=1S/C17H17ClN2/c18-14-3-1-2-11(7-14)12-6-13(10-19-9-12)16-8-15-4-5-17(16)20-15/h1-3,6-7,9-10,15-17,20H,4-5,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86822 (CAS_45263767 | NSC_45263767 | rac-3'-(3-nitrop...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cncc(c1)C1CC2CCC1N2 |TLB:13:15:18.19:21| Show InChI InChI=1S/C17H17N3O2/c21-20(22)15-3-1-2-11(7-15)12-6-13(10-18-9-12)16-8-14-4-5-17(16)19-14/h1-3,6-7,9-10,14,16-17,19H,4-5,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86821 (CAS_45263766 | NSC_45263766 | rac-3'-(3-fluoro...) Show SMILES Fc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19| Show InChI InChI=1S/C17H17FN2/c18-14-3-1-2-11(7-14)12-6-13(10-19-9-12)16-8-15-4-5-17(16)20-15/h1-3,6-7,9-10,15-17,20H,4-5,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86811 (3-(4-chlorophenyl)deschloroepibatidine | CAS_44452...) Show SMILES Clc1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19| Show InChI InChI=1S/C17H17ClN2/c18-14-3-1-11(2-4-14)12-7-13(10-19-9-12)16-8-15-5-6-17(16)20-15/h1-4,7,9-10,15-17,20H,5-6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86806 (CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...) Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19| Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86814 (CAS_45266060 | NSC_45266060 | rac-3'-(4-nitrop...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2 |TLB:13:15:18.19:21| Show InChI InChI=1S/C17H17N3O2/c21-20(22)15-4-1-11(2-5-15)12-7-13(10-18-9-12)16-8-14-3-6-17(16)19-14/h1-2,4-5,7,9-10,14,16-17,19H,3,6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86813 (CAS_45266021 | NSC_45266021 | rac-3-(4-aminophenyl...) Show SMILES Nc1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19| Show InChI InChI=1S/C17H19N3/c18-14-3-1-11(2-4-14)12-7-13(10-19-9-12)16-8-15-5-6-17(16)20-15/h1-4,7,9-10,15-17,20H,5-6,8,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86823 (CAS_45263792 | NSC_45263792 | rac-3-(3-methoxyphen...) Show SMILES COc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2 |THB:12:14:17.18:20| Show InChI InChI=1S/C18H20N2O/c1-21-16-4-2-3-12(8-16)13-7-14(11-19-10-13)17-9-15-5-6-18(17)20-15/h2-4,7-8,10-11,15,17-18,20H,5-6,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86824 (CAS_45266048 | NSC_45266048 | rac-3-phenyldeschlor...) Show SMILES C1CC2NC1CC2c1cncc(c1)-c1ccccc1 |TLB:7:6:0.1:3| Show InChI InChI=1S/C17H18N2/c1-2-4-12(5-3-1)13-8-14(11-18-10-13)16-9-15-6-7-17(16)19-15/h1-5,8,10-11,15-17,19H,6-7,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was determined as ability to displace [3H]-U-69, radioligand from Opioid receptor kappa 1				Bioorg Med Chem Lett 8: 3149-52 (1999) BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [H]DADLE to the delta opioid receptor from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity towards opioid Delta receptor using [3H]DADLE as radioligand				Bioorg Med Chem Lett 9: 3053-6 (1999) BindingDB Entry DOI: 10.7270/Q28916BJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [35S]-GTP-gammaS, binding in Guinea pig Caudate stimulated by the opioid receptor agonist Mu-DAMGO				Bioorg Med Chem Lett 8: 3149-52 (1999) BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM82551 (C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	1.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain				J Med Chem 45: 3524-30 (2002) BindingDB Entry DOI: 10.7270/Q2959J8R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86808 (CAS_45263778 | NSC_45263778 | rac-3'-(3-aminop...) Show SMILES Nc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19| Show InChI InChI=1S/C17H19N3/c18-14-3-1-2-11(7-14)12-6-13(10-19-9-12)16-8-15-4-5-17(16)20-15/h1-3,6-7,9-10,15-17,20H,4-5,8,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 51: 3526-39 (2008) Article DOI: 10.1021/jm8000778 BindingDB Entry DOI: 10.7270/Q29K4B0X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was determined as ability to displace [3H]-DAMGO radioligand from Mu opioid receptor				Bioorg Med Chem Lett 8: 3149-52 (1999) BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50004108 ((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...) Show SMILES CN1CCCC1c1cccnc1 Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (GUINEA PIG)	BDBM50045767 ((+)-N-phenethyl trans-3(R),4(R)-dimethyl-4-(3-hydr...) Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C21H27NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Mu opioid receptor using [3H]-Naltrexone as radioligand				Bioorg Med Chem Lett 8: 3149-52 (1999) BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50039029 ((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [H]DADLE to the delta opioid receptor from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50039029 ((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacement of [3H]-DADLE radioligand				Bioorg Med Chem Lett 10: 1281-4 (2000) BindingDB Entry DOI: 10.7270/Q2P84B3K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50039029 ((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity towards opioid Delta receptor using [3H]DADLE as radioligand				Bioorg Med Chem Lett 9: 3053-6 (1999) BindingDB Entry DOI: 10.7270/Q28916BJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50098462 (4-[(1-Allyl-3-methyl-piperidin-4-yl)-(3-hydroxy-ph...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C26H35N3O2/c1-5-16-27-17-15-25(20(4)19-27)29(23-9-8-10-24(30)18-23)22-13-11-21(12-14-22)26(31)28(6-2)7-3/h5,8-14,18,20,25,30H,1,6-7,15-17,19H2,2-4H3/t20-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [H]DADLE to the delta opioid receptor from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Mu opioid receptor using [3H]naltrexone as radioligand				Bioorg Med Chem Lett 8: 3149-52 (1999) BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089153 (4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-metho...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1)N2CC=C |r,TLB:9:7:31:3.2| Show InChI InChI=1S/C28H37N3O2/c1-5-17-30-23-15-16-24(30)19-26(18-23)31(25-9-8-10-27(20-25)33-4)22-13-11-21(12-14-22)28(32)29(6-2)7-3/h5,8-14,20,23-24,26H,1,6-7,15-19H2,2-4H3/t23-,24+,26+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacement of [3H]-DAMGO radioligand				Bioorg Med Chem Lett 10: 1281-4 (2000) BindingDB Entry DOI: 10.7270/Q2P84B3K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50116621 (3-[7-Amino-4-methyl-2-(3-phenyl-propyl)-2-aza-bicy...) Show SMILES CC1CN(CCCc2ccccc2)C2C[C@H](N)CC1(C2)c1cccc(O)c1 |TLB:16:15:19:3.1.2,THB:0:1:19:14.17.15,4:3:19:14.17.15| Show InChI InChI=1S/C24H32N2O/c1-18-17-26(12-6-9-19-7-3-2-4-8-19)22-14-21(25)15-24(18,16-22)20-10-5-11-23(27)13-20/h2-5,7-8,10-11,13,18,21-22,27H,6,9,12,14-17,25H2,1H3/t18?,21-,22?,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to displace [3H]DAMGO from Opioid receptor mu 1 of rat brain				J Med Chem 45: 3524-30 (2002) BindingDB Entry DOI: 10.7270/Q2959J8R
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50089153 (4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-metho...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1)N2CC=C |r,TLB:9:7:31:3.2| Show InChI InChI=1S/C28H37N3O2/c1-5-17-30-23-15-16-24(30)19-26(18-23)31(25-9-8-10-27(20-25)33-4)22-13-11-21(12-14-22)28(32)29(6-2)7-3/h5,8-14,20,23-24,26H,1,6-7,15-19H2,2-4H3/t23-,24+,26+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacement of [3H]-DADLE radioligand				Bioorg Med Chem Lett 10: 1281-4 (2000) BindingDB Entry DOI: 10.7270/Q2P84B3K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50089156 (CHEMBL3085003 | N,N-Diethyl-4-{(3-methoxy-phenyl)-...) Show SMILES [H][C@]12[#6]-[#6][C@]([H])([#6]-[#6@@H](-[#6]1)-[#7](-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6])-c1cccc(-[#8]-[#6])c1)[#7]2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:9:7:31:3.2| Show InChI InChI=1S/C30H41N3O2/c1-6-31(7-2)30(34)23-11-13-24(14-12-23)33(27-9-8-10-29(21-27)35-5)28-19-25-15-16-26(20-28)32(25)18-17-22(3)4/h8-14,17,21,25-26,28H,6-7,15-16,18-20H2,1-5H3/t25-,26+,28+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacement of [3H]-DADLE radioligand				Bioorg Med Chem Lett 10: 1281-4 (2000) BindingDB Entry DOI: 10.7270/Q2P84B3K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089156 (CHEMBL3085003 | N,N-Diethyl-4-{(3-methoxy-phenyl)-...) Show SMILES [H][C@]12[#6]-[#6][C@]([H])([#6]-[#6@@H](-[#6]1)-[#7](-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6])-c1cccc(-[#8]-[#6])c1)[#7]2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:9:7:31:3.2| Show InChI InChI=1S/C30H41N3O2/c1-6-31(7-2)30(34)23-11-13-24(14-12-23)33(27-9-8-10-29(21-27)35-5)28-19-25-15-16-26(20-28)32(25)18-17-22(3)4/h8-14,17,21,25-26,28H,6-7,15-16,18-20H2,1-5H3/t25-,26+,28+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacement of [3H]-DAMGO radioligand				Bioorg Med Chem Lett 10: 1281-4 (2000) BindingDB Entry DOI: 10.7270/Q2P84B3K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50089154 (4-[[((Z)-8-But-2-enyl)-8-aza-bicyclo[3.2.1]oct-3-y...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CC2CCC(C1)N2C\C=C/C)c1cccc(OC)c1 |TLB:13:14:21:17.18| Show InChI InChI=1S/C29H39N3O2/c1-5-8-18-31-24-16-17-25(31)20-27(19-24)32(26-10-9-11-28(21-26)34-4)23-14-12-22(13-15-23)29(33)30(6-2)7-3/h5,8-15,21,24-25,27H,6-7,16-20H2,1-4H3/b8-5-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacement of [3H]-DADLE radioligand				Bioorg Med Chem Lett 10: 1281-4 (2000) BindingDB Entry DOI: 10.7270/Q2P84B3K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Opioid receptor kappa 1 using [3H]-Ethylketocyclazocine as radioligand				Bioorg Med Chem Lett 8: 3149-52 (1999) BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50116622 (CHEMBL117457 | N-[5-(3-Hydroxy-phenyl)-4-methyl-2-...) Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCN1CCCCC1 |THB:0:1:17:13.14.15,4:3:17:13.14.15| Show InChI InChI=1S/C31H43N3O2/c1-24-23-34(18-13-25-9-4-2-5-10-25)28-20-27(32-30(36)14-17-33-15-6-3-7-16-33)21-31(24,22-28)26-11-8-12-29(35)19-26/h2,4-5,8-12,19,24,27-28,35H,3,6-7,13-18,20-23H2,1H3,(H,32,36)/t24?,27-,28?,31?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain				J Med Chem 45: 3524-30 (2002) BindingDB Entry DOI: 10.7270/Q2959J8R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [35S]-GTP-gammaS, binding to Opioid receptor kappa 1				Bioorg Med Chem Lett 8: 3149-52 (1999) BindingDB Entry DOI: 10.7270/Q2S75FGQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50116624 (3-Guanidino-N-[5-(3-hydroxy-phenyl)-4-methyl-2-phe...) Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCNC(N)=N |THB:0:1:17:13.14.15,4:3:17:13.14.15| Show InChI InChI=1S/C27H37N5O2/c1-19-18-32(13-11-20-6-3-2-4-7-20)23-15-22(31-25(34)10-12-30-26(28)29)16-27(19,17-23)21-8-5-9-24(33)14-21/h2-9,14,19,22-23,33H,10-13,15-18H2,1H3,(H,31,34)(H4,28,29,30)/t19?,22-,23?,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to displace [3H]DAMGO from Opioid receptor mu 1 of rat brain				J Med Chem 45: 3524-30 (2002) BindingDB Entry DOI: 10.7270/Q2959J8R
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50176988 (8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...) Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 51: 3526-39 (2008) Article DOI: 10.1021/jm8000778 BindingDB Entry DOI: 10.7270/Q29K4B0X
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50083637 (4-(((3S,4R)-1-allyl-3-methylpiperidin-4-yl)(phenyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(CC=C)C[C@@H]1C)c1ccccc1 Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [H]DADLE to the delta opioid receptor from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair

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