Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50009186'   

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 (Rattus norvegicus (rat))	BDBM50009186 (2-(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](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand...				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))	BDBM50009186 (2-(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](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	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
Delta-type opioid receptor (MOUSE)	BDBM50009186 (2-(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](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C42H59N7O13S2/c1-23(2)18-30(39(58)45-29(15-17-64-4)38(57)49-33(42(61)62)22-35(53)54)46-41(60)32(21-34(51)52)48-40(59)31(20-24-8-6-5-7-9-24)47-37(56)28(14-16-63-3)44-36(55)27(43)19-25-10-12-26(50)13-11-25/h5-13,23,27-33,50H,14-22,43H2,1-4H3,(H,44,55)(H,45,58)(H,46,60)(H,47,56)(H,48,59)(H,49,57)(H,51,52)(H,53,54)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1				J Med Chem 34: 1656-61 (1991) BindingDB Entry DOI: 10.7270/Q2XW4KCF
					More data for this Ligand-Target Pair