Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50259396'   

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))	BDBM50259396 (CHEMBL3084548 | endo-8-(bis(2-chlorophenyl)methyl)...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@](N)(C1)c1ccc(F)cn1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:8:7:17:3.2| Show InChI InChI=1S/C25H24Cl2FN3/c26-21-7-3-1-5-19(21)24(20-6-2-4-8-22(20)27)31-17-10-11-18(31)14-25(29,13-17)23-12-9-16(28)15-30-23/h1-9,12,15,17-18,24H,10-11,13-14,29H2/t17-,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 2482-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.057 BindingDB Entry DOI: 10.7270/Q2D21XH9
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