Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50478181'   

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))	BDBM50478181 (CHEMBL258781) Show SMILES COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cccnc3)c2=O)C(C)C)c1 Show InChI InChI=1S/C32H40N4O3/c1-23(2)30(39-31-20-27(38-4)12-11-24(31)3)15-19-34-17-13-26(14-18-34)36-29-10-6-5-9-28(29)35(32(36)37)22-25-8-7-16-33-21-25/h5-12,16,20-21,23,26,30H,13-15,17-19,22H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	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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