Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50144301'   

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))	BDBM50144301 (4-[(S)-(R)-8-Aza-bicyclo[3.2.1]oct-(3E)-ylidene-ph...) Show SMILES CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2)\c1ccccc1 Show InChI InChI=1S/C23H26N2O/c1-2-24-23(26)18-10-8-17(9-11-18)22(16-6-4-3-5-7-16)19-14-20-12-13-21(15-19)25-20/h3-11,20-21,25H,2,12-15H2,1H3,(H,24,26)/b22-19-/t20-,21+/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	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description In vitro binding affinity towards opioid receptor mu 1				Bioorg Med Chem Lett 14: 2113-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.052 BindingDB Entry DOI: 10.7270/Q21J997Q
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