Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50341315'   

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))	BDBM50341315 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells				J Med Chem 54: 2029-38 (2011) Article DOI: 10.1021/jm101023r BindingDB Entry DOI: 10.7270/Q2862GRK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50341315 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				J Med Chem 54: 2029-38 (2011) Article DOI: 10.1021/jm101023r BindingDB Entry DOI: 10.7270/Q2862GRK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50341315 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/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	n/a	n/a	7.08	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at human opioid delta receptor expressed in mouse HN9.10 cells assessed as [35S]GTPgammaS binding				J Med Chem 54: 2029-38 (2011) Article DOI: 10.1021/jm101023r BindingDB Entry DOI: 10.7270/Q2862GRK
					More data for this Ligand-Target Pair