Compile Data Set for Download or QSAR

Found 413 hits with Last Name = 'vardy' and Initial = 'e'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494235 (CHEMBL3216613) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)N(C)C |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5,29:5:8:12.9.11| Show InChI InChI=1S/C26H36N2O.2ClH/c1-20-19-28(14-8-11-21-9-5-4-6-10-21)24-16-23(27(2)3)17-26(20,18-24)22-12-7-13-25(29)15-22;;/h4-7,9-10,12-13,15,20,23-24,29H,8,11,14,16-19H2,1-3H3;2*1H/t20-,23+,24+,26+;;/m1../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494231 (CHEMBL3217272) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C25H34N2O.2ClH/c1-19-18-27(13-7-10-20-8-4-3-5-9-20)23-15-22(26-2)16-25(19,17-23)21-11-6-12-24(28)14-21;;/h3-6,8-9,11-12,14,19,22-23,26,28H,7,10,13,15-18H2,1-2H3;2*1H/t19-,22+,23+,25+;;/m1../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.371	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]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494228 (CHEMBL3217271) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)N(C)CC1CC1 |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C29H40N2O.2ClH/c1-22-20-31(15-7-10-23-8-4-3-5-9-23)27-17-26(30(2)21-24-13-14-24)18-29(22,19-27)25-11-6-12-28(32)16-25;;/h3-6,8-9,11-12,16,22,24,26-27,32H,7,10,13-15,17-21H2,1-2H3;2*1H/t22-,26+,27+,29+;;/m1../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [D138N] (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.590	-52.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50491417 (22-THIOCYANATOSALVINORIN A) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CSC#N)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C24H27NO8S/c1-23-6-4-14-22(29)33-17(13-5-7-31-10-13)9-24(14,2)20(23)19(27)16(8-15(23)21(28)30-3)32-18(26)11-34-12-25/h5,7,10,14-17,20H,4,6,8-9,11H2,1-3H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor (unknown origin)				Bioorg Med Chem Lett 23: 2860-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.111 BindingDB Entry DOI: 10.7270/Q22V2K13
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin)				Bioorg Med Chem Lett 23: 2860-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.111 BindingDB Entry DOI: 10.7270/Q22V2K13
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta opioid receptor (unknown origin)				Bioorg Med Chem Lett 23: 2860-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.111 BindingDB Entry DOI: 10.7270/Q22V2K13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494228 (CHEMBL3217271) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)N(C)CC1CC1 |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C29H40N2O.2ClH/c1-22-20-31(15-7-10-23-8-4-3-5-9-23)27-17-26(30(2)21-24-13-14-24)18-29(22,19-27)25-11-6-12-28(32)16-25;;/h3-6,8-9,11-12,16,22,24,26-27,32H,7,10,13-15,17-21H2,1-2H3;2*1H/t22-,26+,27+,29+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.920	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]U-69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494229 (CHEMBL3215960) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NCCC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C27H38N2O.2ClH/c1-3-14-28-24-17-25-19-27(18-24,23-12-7-13-26(30)16-23)21(2)20-29(25)15-8-11-22-9-5-4-6-10-22;;/h4-7,9-10,12-13,16,21,24-25,28,30H,3,8,11,14-15,17-20H2,1-2H3;2*1H/t21-,24+,25+,27+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494232 (CHEMBL3086466) Show SMILES Cl.[H][C@@]12CCC[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H31NO.ClH/c1-19-18-25(15-7-10-20-8-3-2-4-9-20)22-12-6-14-24(19,17-22)21-11-5-13-23(26)16-21;/h2-5,8-9,11,13,16,19,22,26H,6-7,10,12,14-15,17-18H2,1H3;1H/t19-,22-,24+;/m1./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494229 (CHEMBL3215960) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NCCC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C27H38N2O.2ClH/c1-3-14-28-24-17-25-19-27(18-24,23-12-7-13-26(30)16-23)21(2)20-29(25)15-8-11-22-9-5-4-6-10-22;;/h4-7,9-10,12-13,16,21,24-25,28,30H,3,8,11,14-15,17-20H2,1-2H3;2*1H/t21-,24+,25+,27+;;/m1../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50491416 (CHEMBL2381584) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CC(=O)OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C25H30O10/c1-24-7-5-14-23(30)35-17(13-6-8-33-12-13)11-25(14,2)21(24)20(28)16(9-15(24)22(29)32-4)34-19(27)10-18(26)31-3/h6,8,12,14-17,21H,5,7,9-11H2,1-4H3/t14-,15-,16-,17-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor (unknown origin)				Bioorg Med Chem Lett 23: 2860-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.111 BindingDB Entry DOI: 10.7270/Q22V2K13
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [K227A] (Homo sapiens (Human))	BDBM214798 (Dynorphin A (1-17) | YGGFLRRIRPKLK) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.20	-49.4	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [K227A] (Homo sapiens (Human))	BDBM21130 (N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...) Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	-49.1	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [K212A] (Homo sapiens (Human))	BDBM21130 (N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...) Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	-48.4	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494230 (CHEMBL3217051) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NCC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C26H36N2O.2ClH/c1-3-27-23-16-24-18-26(17-23,22-12-7-13-25(29)15-22)20(2)19-28(24)14-8-11-21-9-5-4-6-10-21;;/h4-7,9-10,12-13,15,20,23-24,27,29H,3,8,11,14,16-19H2,1-2H3;2*1H/t20-,23+,24+,26+;;/m1../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [D138A] (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	-48.3	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [I294A] (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	-48.0	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [D138N] (Homo sapiens (Human))	BDBM214799 (1xx) Show SMILES FC(F)(F)c1cc(NC(=O)[C@H]2CC=C[C@H]3CCN(Cc4ccccc4)C(=O)[C@@H]23)ccc1Cl |r,c:12| Show InChI InChI=1S/C24H22ClF3N2O2/c25-20-10-9-17(13-19(20)24(26,27)28)29-22(31)18-8-4-7-16-11-12-30(23(32)21(16)18)14-15-5-2-1-3-6-15/h1-7,9-10,13,16,18,21H,8,11-12,14H2,(H,29,31)/t16-,18-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	-47.9	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [K227A] (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40	-47.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [K200A] (Homo sapiens (Human))	BDBM214798 (Dynorphin A (1-17) | YGGFLRRIRPKLK) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4.80	-47.5	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [K212A] (Homo sapiens (Human))	BDBM214798 (Dynorphin A (1-17) | YGGFLRRIRPKLK) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.40	-47.2	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50025235 (CHEMBL3330665) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CC(C)=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C26H32O8/c1-14(2)10-20(27)33-18-11-17(23(29)31-5)25(3)8-6-16-24(30)34-19(15-7-9-32-13-15)12-26(16,4)22(25)21(18)28/h7,9,13,16-19,22H,1,6,8,10-12H2,2-5H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [I135A] (Homo sapiens (Human))	BDBM214798 (Dynorphin A (1-17) | YGGFLRRIRPKLK) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.20	-46.8	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor (unknown origin)				Bioorg Med Chem Lett 23: 2860-2 (2013) Article DOI: 10.1016/j.bmcl.2013.03.111 BindingDB Entry DOI: 10.7270/Q22V2K13
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [Y320A] (Homo sapiens (Human))	BDBM214798 (Dynorphin A (1-17) | YGGFLRRIRPKLK) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6.60	-46.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [M226A] (Homo sapiens (Human))	BDBM214798 (Dynorphin A (1-17) | YGGFLRRIRPKLK) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.10	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [E297A] (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [M226A] (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494233 (CHEMBL3217273) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NCC1CC1 |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C28H38N2O.2ClH/c1-21-20-30(14-6-9-22-7-3-2-4-8-22)26-16-25(29-19-23-12-13-23)17-28(21,18-26)24-10-5-11-27(31)15-24;;/h2-5,7-8,10-11,15,21,23,25-26,29,31H,6,9,12-14,16-20H2,1H3;2*1H/t21-,25+,26+,28+;;/m1../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [H291F] (Homo sapiens (Human))	BDBM21130 (N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...) Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.60	-46.3	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [H291F] (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.80	-46.3	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494232 (CHEMBL3086466) Show SMILES Cl.[H][C@@]12CCC[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H31NO.ClH/c1-19-18-25(15-7-10-20-8-3-2-4-9-20)22-12-6-14-24(19,17-22)21-11-5-13-23(26)16-21;/h2-5,8-9,11,13,16,19,22,26H,6-7,10,12,14-15,17-18H2,1H3;1H/t19-,22-,24+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	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]U-69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM214798 (Dynorphin A (1-17) | YGGFLRRIRPKLK) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	8	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494230 (CHEMBL3217051) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)NCC |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C26H36N2O.2ClH/c1-3-27-23-16-24-18-26(17-23,22-12-7-13-25(29)15-22)20(2)19-28(24)14-8-11-21-9-5-4-6-10-21;;/h4-7,9-10,12-13,15,20,23-24,27,29H,3,8,11,14,16-19H2,1-2H3;2*1H/t20-,23+,24+,26+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [I135A] (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	-46.1	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [K212A] (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	-46.1	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50494228 (CHEMBL3217271) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)N(C)CC1CC1 |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5| Show InChI InChI=1S/C29H40N2O.2ClH/c1-22-20-31(15-7-10-23-8-4-3-5-9-23)27-17-26(30(2)21-24-13-14-24)18-29(22,19-27)25-11-6-12-28(32)16-25;;/h3-6,8-9,11-12,16,22,24,26-27,32H,7,10,13-15,17-21H2,1-2H3;2*1H/t22-,26+,27+,29+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	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]DADLE from human delta opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [K200A] (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	-45.8	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50025264 (CHEMBL3330670) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C30H32O8/c1-29-13-11-20-28(34)38-23(19-12-14-36-17-19)16-30(20,2)26(29)25(32)22(15-21(29)27(33)35-3)37-24(31)10-9-18-7-5-4-6-8-18/h4-10,12,14,17,20-23,26H,11,13,15-16H2,1-3H3/b10-9+/t20-,21-,22-,23-,26-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494235 (CHEMBL3216613) Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)N(C)C |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5,29:5:8:12.9.11| Show InChI InChI=1S/C26H36N2O.2ClH/c1-20-19-28(14-8-11-21-9-5-4-6-10-21)24-16-23(27(2)3)17-26(20,18-24)22-12-7-13-25(29)15-22;;/h4-7,9-10,12-13,15,20,23-24,29H,8,11,14,16-19H2,1-3H3;2*1H/t20-,23+,24+,26+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells				J Med Chem 56: 8826-33 (2013) Article DOI: 10.1021/jm401250s BindingDB Entry DOI: 10.7270/Q2V127SP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [M226A] (Homo sapiens (Human))	BDBM21130 (N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...) Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	-45.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50025255 (CHEMBL3330667) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)CC=C)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C25H30O8/c1-5-6-19(26)32-17-11-16(22(28)30-4)24(2)9-7-15-23(29)33-18(14-8-10-31-13-14)12-25(15,3)21(24)20(17)27/h5,8,10,13,15-18,21H,1,6-7,9,11-12H2,2-4H3/t15-,16-,17-,18-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [Y313F] (Homo sapiens (Human))	BDBM214798 (Dynorphin A (1-17) | YGGFLRRIRPKLK) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	10	-45.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50159165 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	-45.7	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [K200A] (Homo sapiens (Human))	BDBM21130 (N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...) Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	11	-45.4	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [Y312A] (Homo sapiens (Human))	BDBM214798 (Dynorphin A (1-17) | YGGFLRRIRPKLK) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	11	-45.4	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair

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