Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50545654'   

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))	BDBM50545654 (CHEMBL4633223) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccc(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C39H40N2O3/c1-25-7-5-11-28(19-25)31-20-30-22-39(43-18-6-10-26-8-3-2-4-9-26)33-21-29-14-15-32(42)36-34(29)38(39,37(44-36)35(30)40-23-31)16-17-41(33)24-27-12-13-27/h2-5,7-9,11,14-15,19-20,23,27,33,37,42H,6,10,12-13,16-18,21-22,24H2,1H3/t33-,37+,38+,39-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	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))	BDBM50545654 (CHEMBL4633223) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccc(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C39H40N2O3/c1-25-7-5-11-28(19-25)31-20-30-22-39(43-18-6-10-26-8-3-2-4-9-26)33-21-29-14-15-32(42)36-34(29)38(39,37(44-36)35(30)40-23-31)16-17-41(33)24-27-12-13-27/h2-5,7-9,11,14-15,19-20,23,27,33,37,42H,6,10,12-13,16-18,21-22,24H2,1H3/t33-,37+,38+,39-/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	<0.169	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