Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50049804'   

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))	BDBM50049804 (1H-Indole-2-carboxylic acid [2-(7-chloro-1-methyl-...) Show SMILES CN1C(CCNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:20| Show InChI InChI=1S/C27H25ClN4O/c1-32-21(13-14-29-27(33)24-15-19-9-5-6-10-23(19)31-24)17-30-26(18-7-3-2-4-8-18)22-16-20(28)11-12-25(22)32/h2-12,15-16,21,31H,13-14,17H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against delta Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
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