Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50297504'   

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))	BDBM50297504 (17-(cyclopropylmethyl)-3,14-dihydroxy-6beta-(N,N-d...) Show SMILES CN(C)C(=O)O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C23H30N2O5/c1-24(2)21(27)29-16-7-8-23(28)17-11-14-5-6-15(26)19-18(14)22(23,20(16)30-19)9-10-25(17)12-13-3-4-13/h5-6,13,16-17,20,26,28H,3-4,7-12H2,1-2H3/t16-,17-,20+,22+,23-/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	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New England Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 2811-4 (2009) Article DOI: 10.1016/j.bmcl.2009.03.095 BindingDB Entry DOI: 10.7270/Q29G5MW7
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