Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50002890   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50130563 ((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at kappa opioid receptor (unknown origin) assessed as stimulation of [35S]GTPgammaS				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50130563 ((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50026603 (Buprenorphine | CHEBI:3216) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at kappa opioid receptor (unknown origin) assessed as stimulation of [35S]GTPgammaS				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50026614 (CHEMBL575508) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r| Show InChI InChI=1S/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50464462 (CHEMBL4283681) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1C2Nc2ccc(CCNC(=N)CCCC)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H42N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,23,26,29,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t23?,26-,29?,31+,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50130563 ((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012152 (CHEMBL3264441) Show SMILES CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H36N2O6/c1-4-35-27(34)25(36-26(33)24-13-19-8-9-23(32)12-20(19)15-29-24)17-30-11-10-28(3,18(2)16-30)21-6-5-7-22(31)14-21/h5-9,12,14,18,24-25,29,31-32H,4,10-11,13,15-17H2,1-3H3/t18-,24+,25?,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50464462 (CHEMBL4283681) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1C2Nc2ccc(CCNC(=N)CCCC)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H42N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,23,26,29,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t23?,26-,29?,31+,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50464462 (CHEMBL4283681) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1C2Nc2ccc(CCNC(=N)CCCC)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H42N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,23,26,29,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t23?,26-,29?,31+,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50464461 (CHEMBL4290635) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C73H115N25O12/c1-43(2)39-54(95-63(104)52(30-18-36-86-72(80)81)93-66(107)56(41-47-23-10-6-11-24-47)97-67(108)57(42-48-25-12-7-13-26-48)96-65(106)55(89-45(4)99)40-46-21-8-5-9-22-46)64(105)92-51(29-17-35-85-71(78)79)62(103)91-50(28-16-34-84-70(76)77)61(102)88-44(3)60(101)94-53(31-19-37-87-73(82)83)69(110)98-38-20-32-58(98)68(109)90-49(59(75)100)27-14-15-33-74/h5-13,21-26,43-44,49-58H,14-20,27-42,74H2,1-4H3,(H2,75,100)(H,88,102)(H,89,99)(H,90,109)(H,91,103)(H,92,105)(H,93,107)(H,94,101)(H,95,104)(H,96,106)(H,97,108)(H4,76,77,84)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t44-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at kappa opioid receptor (unknown origin)				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50027038 (CHEMBL2112474) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50464460 (CHEMBL4295159) Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NCC(NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)[C@@H](C)CC |r| Show InChI InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38-,43-,44-,45-,46-,47-,48-,49?,50+,54-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at kappa opioid receptor (unknown origin)				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50026614 (CHEMBL575508) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r| Show InChI InChI=1S/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50012151 (CHEMBL3264440) Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,24+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from rat mu-opioid receptor in expressed in rat C6 cell membranes after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50012150 (CHEMBL3264439) Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from rat mu-opioid receptor in expressed in rat C6 cell membranes after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012150 (CHEMBL3264439) Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50027038 (CHEMBL2112474) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50027051 (CHEMBL2112472) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50012151 (CHEMBL3264440) Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,24+,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50130563 ((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50026614 (CHEMBL575508) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r| Show InChI InChI=1S/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	616	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50027051 (CHEMBL2112472) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	764	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50027038 (CHEMBL2112474) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50027051 (CHEMBL2112472) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta-opioid receptor in rat brain membranes after 2 hrs				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50268462 (CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp]) Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r| Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]CI-977 from kappa opioid receptor in guinea pig brain membranes after 30 mins by scintillation counting method				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50268462 (CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp]) Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r| Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in guinea pig brain membranes after 30 mins by scintillation counting method				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair
Opioid receptor delta 1 (Cavia porcellus)	BDBM50268462 (CHEMBL506616 | c[L-Phe-D-pro-L-Phe-L-trp]) Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r| Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28-,29-,30+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta-opioid receptor in guinea pig brain membranes after 30 mins by scintillation counting method				Eur J Med Chem 141: 632-647 (2017) Article DOI: 10.1016/j.ejmech.2017.10.012 BindingDB Entry DOI: 10.7270/Q2V98BQ2
					More data for this Ligand-Target Pair