Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Oprd1b protein'   

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
Oprd1b protein (Danio rerio)	BDBM50019056 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233416 (CHEMBL4065055) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31+,36+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50001465 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233414 (CHEMBL4095111) Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)/t22-,23+,24-,25-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233417 (CHEMBL4102609) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29-,30-,31+,36+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	519	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233419 (CHEMBL4083712) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O[C@@]2([H])O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C42H60N6O17S/c1-66-12-11-25(47-38(59)24(43)13-21-7-9-22(51)10-8-21)39(60)45-16-30(52)46-26(14-20-5-3-2-4-6-20)40(61)48-17-23(15-27(48)37(44)58)62-41-35(57)33(55)36(29(19-50)64-41)65-42-34(56)32(54)31(53)28(18-49)63-42/h2-10,23-29,31-36,41-42,49-51,53-57H,11-19,43H2,1H3,(H2,44,58)(H,45,60)(H,46,52)(H,47,59)/t23-,24-,25+,26-,27-,28-,29+,31-,32+,33+,34-,35+,36+,41+,42+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	528	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233415 (CHEMBL4064725) Show SMILES [H][C@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C36H50N6O12S/c1-55-12-11-24(41-33(50)23(37)13-20-7-9-21(44)10-8-20)34(51)39-16-28(45)40-25(14-19-5-3-2-4-6-19)35(52)42-17-22(15-26(42)32(38)49)53-36-31(48)30(47)29(46)27(18-43)54-36/h2-10,22-27,29-31,36,43-44,46-48H,11-18,37H2,1H3,(H2,38,49)(H,39,51)(H,40,45)(H,41,50)/t22-,23-,24+,25-,26-,27+,29+,30-,31-,36-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	536	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50233418 (CHEMBL4101712) Show SMILES [H][C@@]1(O[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)O[C@H](CO)[C@@H](O[C@@]2([H])O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C42H60N6O17S/c1-66-12-11-25(47-38(59)24(43)13-21-7-9-22(51)10-8-21)39(60)45-16-30(52)46-26(14-20-5-3-2-4-6-20)40(61)48-17-23(15-27(48)37(44)58)62-41-35(57)33(55)36(29(19-50)64-41)65-42-34(56)32(54)31(53)28(18-49)63-42/h2-10,23-29,31-36,41-42,49-51,53-57H,11-19,43H2,1H3,(H2,44,58)(H,45,60)(H,46,52)(H,47,59)/t23-,24-,25+,26-,27-,28-,29+,31+,32+,33+,34-,35+,36+,41+,42+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	559	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair
Oprd1b protein (Danio rerio)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC) Curated by ChEMBL					Assay Description Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				Bioorg Med Chem 25: 2260-2265 (2017) Article DOI: 10.1016/j.bmc.2017.02.052 BindingDB Entry DOI: 10.7270/Q2QR50CJ
					More data for this Ligand-Target Pair