Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50478169'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50478169 (CHEMBL406926) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3csc(C)n3)c2=O)C(C)C)c1 Show InChI InChI=1S/C31H40N4O3S/c1-21(2)29(38-30-18-26(37-5)11-10-22(30)3)14-17-33-15-12-25(13-16-33)35-28-9-7-6-8-27(28)34(31(35)36)19-24-20-39-23(4)32-24/h6-11,18,20-21,25,29H,12-17,19H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Diprenorphine from human mu opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 2829-51 (2008) Article DOI: 10.1016/j.bmc.2008.01.005 BindingDB Entry DOI: 10.7270/Q2C82D2D
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