Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50009190'   

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)	BDBM50009190 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/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	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))	BDBM50009190 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	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))	BDBM50009190 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C47H64N8O11S2/c1-27(2)22-37(45(64)51-35(19-21-68-4)43(62)52-36(41(49)60)26-40(58)59)53-46(65)39(25-30-12-16-32(57)17-13-30)55-47(66)38(24-28-8-6-5-7-9-28)54-44(63)34(18-20-67-3)50-42(61)33(48)23-29-10-14-31(56)15-11-29/h5-17,27,33-39,56-57H,18-26,48H2,1-4H3,(H2,49,60)(H,50,61)(H,51,64)(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,58,59)/t33-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.10	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