Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50354994'   

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 (MOUSE)	BDBM50354994 (CHEMBL1834899) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(CC[C@@]34O)O[C@H]3CO[C@@H]4N3[C@H]5O[C@]43CC[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5CC4CC4)C3)c2c1 |r,TLB:8:7:19:52.4.5| Show InChI InChI=1S/C44H55N3O7/c48-30-7-5-28-17-34-43(50)11-9-41(24-39(43,32(28)19-30)13-15-45(34)21-26-1-2-26)37-47-36(23-52-37)53-42(38(47)54-41)10-12-44(51)35-18-29-6-8-31(49)20-33(29)40(44,25-42)14-16-46(35)22-27-3-4-27/h5-8,19-20,26-27,34-38,48-51H,1-4,9-18,21-25H2/t34-,35-,36+,37+,38+,39-,40-,41+,42+,43-,44-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.771	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mouse mu opioid receptor in whole brain without cerebellum				Bioorg Med Chem Lett 21: 6198-202 (2011) Article DOI: 10.1016/j.bmcl.2011.07.065 BindingDB Entry DOI: 10.7270/Q25M664X
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