Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50009198'   

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)	BDBM50009198 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...) Show SMILES CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C44H64N10O8S2/c1-6-32(38(46)56)49-40(58)34(17-19-64-5)51-42(60)35(20-26(2)3)52-44(62)37(23-29-24-47-25-48-29)54-43(61)36(22-27-10-8-7-9-11-27)53-41(59)33(16-18-63-4)50-39(57)31(45)21-28-12-14-30(55)15-13-28/h7-15,24-26,31-37,55H,6,16-23,45H2,1-5H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H,51,60)(H,52,62)(H,53,59)(H,54,61)/t31-,32-,33-,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay				J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50009198 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...) Show SMILES CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C44H64N10O8S2/c1-6-32(38(46)56)49-40(58)34(17-19-64-5)51-42(60)35(20-26(2)3)52-44(62)37(23-29-24-47-25-48-29)54-43(61)36(22-27-10-8-7-9-11-27)53-41(59)33(16-18-63-4)50-39(57)31(45)21-28-12-14-30(55)15-13-28/h7-15,24-26,31-37,55H,6,16-23,45H2,1-5H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H,51,60)(H,52,62)(H,53,59)(H,54,61)/t31-,32-,33-,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane				J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50009198 (2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...) Show SMILES CC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C44H64N10O8S2/c1-6-32(38(46)56)49-40(58)34(17-19-64-5)51-42(60)35(20-26(2)3)52-44(62)37(23-29-24-47-25-48-29)54-43(61)36(22-27-10-8-7-9-11-27)53-41(59)33(16-18-63-4)50-39(57)31(45)21-28-12-14-30(55)15-13-28/h7-15,24-26,31-37,55H,6,16-23,45H2,1-5H3,(H2,46,56)(H,47,48)(H,49,58)(H,50,57)(H,51,60)(H,52,62)(H,53,59)(H,54,61)/t31-,32-,33-,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane				J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF
					More data for this Ligand-Target Pair