Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50036135'   

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))	BDBM50036135 (5-amino(imino)methylamino-2-[22-cyclopropylmethyl-...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:19:18:41.22.21:36.34.35,37:36:18:41.22.21,27:41:18:36.34.35,THB:17:18:41.22.21:36.34.35| Show InChI InChI=1S/C33H38N6O6/c34-31(35)36-11-2-5-21(30(42)43)37-29(41)19-4-1-3-18-20-14-33(44)23-13-17-8-9-22(40)27-24(17)32(33,10-12-39(23)15-16-6-7-16)28(45-27)26(20)38-25(18)19/h1,3-4,8-9,16,21,23,28,38,40,44H,2,5-7,10-15H2,(H,37,41)(H,42,43)(H4,34,35,36)/t21-,23?,28+,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]DSLET (delta 2) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50036135 (5-amino(imino)methylamino-2-[22-cyclopropylmethyl-...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:19:18:41.22.21:36.34.35,37:36:18:41.22.21,27:41:18:36.34.35,THB:17:18:41.22.21:36.34.35| Show InChI InChI=1S/C33H38N6O6/c34-31(35)36-11-2-5-21(30(42)43)37-29(41)19-4-1-3-18-20-14-33(44)23-13-17-8-9-22(40)27-24(17)32(33,10-12-39(23)15-16-6-7-16)28(45-27)26(20)38-25(18)19/h1,3-4,8-9,16,21,23,28,38,40,44H,2,5-7,10-15H2,(H,37,41)(H,42,43)(H4,34,35,36)/t21-,23?,28+,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes				J Med Chem 38: 402-7 (1995) BindingDB Entry DOI: 10.7270/Q22N52W5
					More data for this Ligand-Target Pair