Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50259580'   

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))	BDBM50259580 (CHEMBL3084560 | endo-8-(bis(2-chlorophenyl)methyl)...) Show SMILES [H][C@]12CC[C@]([H])(C[C@](C1)(C(N)=O)c1ccncc1)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C26H25Cl2N3O/c27-22-7-3-1-5-20(22)24(21-6-2-4-8-23(21)28)31-18-9-10-19(31)16-26(15-18,25(29)32)17-11-13-30-14-12-17/h1-8,11-14,18-19,24H,9-10,15-16H2,(H2,29,32)/t18-,19-/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	265	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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