Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50545674'   

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))	BDBM50545674 (CHEMBL4648628) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccn1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C37H37N3O3/c41-30-14-13-26-20-31-37(42-18-6-9-24-7-2-1-3-8-24)21-27-19-28(29-10-4-5-16-38-29)22-39-33(27)35-36(37,32(26)34(30)43-35)15-17-40(31)23-25-11-12-25/h1-5,7-8,10,13-14,16,19,22,25,31,35,41H,6,9,11-12,15,17-18,20-21,23H2/t31-,35+,36+,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...				J Med Chem 63: 7663-7694 (2020) Article DOI: 10.1021/acs.jmedchem.0c00503 BindingDB Entry DOI: 10.7270/Q2B56P91
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50545674 (CHEMBL4648628) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccn1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C37H37N3O3/c41-30-14-13-26-20-31-37(42-18-6-9-24-7-2-1-3-8-24)21-27-19-28(29-10-4-5-16-38-29)22-39-33(27)35-36(37,32(26)34(30)43-35)15-17-40(31)23-25-11-12-25/h1-5,7-8,10,13-14,16,19,22,25,31,35,41H,6,9,11-12,15,17-18,20-21,23H2/t31-,35+,36+,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cell membranes assessed as reduction in SNC80-induced [35S]GTPgammaS binding prei...				J Med Chem 63: 7663-7694 (2020) Article DOI: 10.1021/acs.jmedchem.0c00503 BindingDB Entry DOI: 10.7270/Q2B56P91
					More data for this Ligand-Target Pair