Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50061374'   

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))	BDBM50061374 (CHEMBL3393998) Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cc2ccccc2s1 Show InChI InChI=1S/C22H22N4OS/c27-21(20-15-16-7-1-4-10-19(16)28-20)24-22-23-17-8-2-3-9-18(17)26(22)14-13-25-11-5-6-12-25/h1-4,7-10,15H,5-6,11-14H2,(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay				Bioorg Med Chem Lett 25: 887-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.064 BindingDB Entry DOI: 10.7270/Q2542Q8K
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