Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50037275   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21864 ((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| 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?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description [3H]-Cl-DPDPE competition binding assay using human cloned opioid receptor delta 1				J Med Chem 47: 281-4 (2004) Article DOI: 10.1021/jm030419a BindingDB Entry DOI: 10.7270/Q20K2990
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50138632 (1-Phenyl-cyclopentanecarboxylic acid [(S)-5-(3-hyd...) Show SMILES CC1CN(CCCc2ccccc2)C2C[C@H](CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)/t27?,31-,32?,36?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description [3H]-Cl-DPDPE competition binding assay using human cloned opioid receptor delta 1				J Med Chem 47: 281-4 (2004) Article DOI: 10.1021/jm030419a BindingDB Entry DOI: 10.7270/Q20K2990
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50138633 (1-Phenyl-cyclopentanecarboxylic acid [5-(3-hydroxy...) Show SMILES CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 [3H]-Cl-DPDPE competition binding assay using human cloned opioid receptor delta 1				J Med Chem 47: 281-4 (2004) Article DOI: 10.1021/jm030419a BindingDB Entry DOI: 10.7270/Q20K2990
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50138634 (1-Phenyl-cyclopentanecarboxylic acid [(R)-5-(3-hyd...) Show SMILES CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)/t27?,31-,32?,36?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description [3H]-Cl-DPDPE competition binding assay using human cloned opioid receptor delta 1				J Med Chem 47: 281-4 (2004) Article DOI: 10.1021/jm030419a BindingDB Entry DOI: 10.7270/Q20K2990
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50006946 (2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]DPDPE as radioligand				J Med Chem 47: 281-4 (2004) Article DOI: 10.1021/jm030419a BindingDB Entry DOI: 10.7270/Q20K2990
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50138632 (1-Phenyl-cyclopentanecarboxylic acid [(S)-5-(3-hyd...) Show SMILES CC1CN(CCCc2ccccc2)C2C[C@H](CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)/t27?,31-,32?,36?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inverse agonist potency at cloned human delta-opioid receptor				J Med Chem 47: 281-4 (2004) Article DOI: 10.1021/jm030419a BindingDB Entry DOI: 10.7270/Q20K2990
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50138633 (1-Phenyl-cyclopentanecarboxylic acid [5-(3-hydroxy...) Show SMILES CC1CN(CCCc2ccccc2)C2CC(CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inverse agonist potency at cloned human delta-opioid receptor				J Med Chem 47: 281-4 (2004) Article DOI: 10.1021/jm030419a BindingDB Entry DOI: 10.7270/Q20K2990
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50064515 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-o-tolyl-allyl)-pi...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2C)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3/b10-7+/t19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inverse agonist potency at cloned human opioid receptor delta 1				J Med Chem 47: 281-4 (2004) Article DOI: 10.1021/jm030419a BindingDB Entry DOI: 10.7270/Q20K2990
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50138634 (1-Phenyl-cyclopentanecarboxylic acid [(R)-5-(3-hyd...) Show SMILES CC1CN(CCCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C36H44N2O2/c1-27-26-38(21-11-14-28-12-4-2-5-13-28)32-23-31(24-36(27,25-32)30-17-10-18-33(39)22-30)37-34(40)35(19-8-9-20-35)29-15-6-3-7-16-29/h2-7,10,12-13,15-18,22,27,31-32,39H,8-9,11,14,19-21,23-26H2,1H3,(H,37,40)/t27?,31-,32?,36?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inverse agonist potency at cloned human opioid receptor delta 1				J Med Chem 47: 281-4 (2004) Article DOI: 10.1021/jm030419a BindingDB Entry DOI: 10.7270/Q20K2990
					More data for this Ligand-Target Pair