Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50183556'   

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 (MOUSE)	BDBM50183556 (CHEMBL408889 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O Show InChI InChI=1S/C56H67N9O14/c1-5-6-20-41(52(73)62-45(56(78)79)29-38-32-65(34(3)66)46-21-14-13-19-40(38)46)59-53(74)42(30-49(69)70)60-54(75)47(28-36-17-11-8-12-18-36)64(4)63-43(26-35-15-9-7-10-16-35)51(72)57-31-48(68)58-33(2)50(71)61-44(55(76)77)27-37-22-24-39(67)25-23-37/h7-19,21-25,32-33,41-45,47,63,67H,5-6,20,26-31H2,1-4H3,(H,57,72)(H,58,68)(H,59,74)(H,60,75)(H,61,71)(H,62,73)(H,69,70)(H,76,77)(H,78,79)/t33-,41+,42+,43+,44+,45+,47+/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	5.10	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 by inhibition of muscle contraction in electrically stimulated isolated mouse vas deferens				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50183556 (CHEMBL408889 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O Show InChI InChI=1S/C56H67N9O14/c1-5-6-20-41(52(73)62-45(56(78)79)29-38-32-65(34(3)66)46-21-14-13-19-40(38)46)59-53(74)42(30-49(69)70)60-54(75)47(28-36-17-11-8-12-18-36)64(4)63-43(26-35-15-9-7-10-16-35)51(72)57-31-48(68)58-33(2)50(71)61-44(55(76)77)27-37-22-24-39(67)25-23-37/h7-19,21-25,32-33,41-45,47,63,67H,5-6,20,26-31H2,1-4H3,(H,57,72)(H,58,68)(H,59,74)(H,60,75)(H,61,71)(H,62,73)(H,69,70)(H,76,77)(H,78,79)/t33-,41+,42+,43+,44+,45+,47+/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	11	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 HN9.10 cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50183556 (CHEMBL408889 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O Show InChI InChI=1S/C56H67N9O14/c1-5-6-20-41(52(73)62-45(56(78)79)29-38-32-65(34(3)66)46-21-14-13-19-40(38)46)59-53(74)42(30-49(69)70)60-54(75)47(28-36-17-11-8-12-18-36)64(4)63-43(26-35-15-9-7-10-16-35)51(72)57-31-48(68)58-33(2)50(71)61-44(55(76)77)27-37-22-24-39(67)25-23-37/h7-19,21-25,32-33,41-45,47,63,67H,5-6,20,26-31H2,1-4H3,(H,57,72)(H,58,68)(H,59,74)(H,60,75)(H,61,71)(H,62,73)(H,69,70)(H,76,77)(H,78,79)/t33-,41+,42+,43+,44+,45+,47+/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	0.520	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of [35S]GTP-gamma-S binding to human delta opioid receptor expressed in CHO cells				J Med Chem 49: 1773-80 (2006) Article DOI: 10.1021/jm050851n BindingDB Entry DOI: 10.7270/Q2FT8MVM
					More data for this Ligand-Target Pair