Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50303618'   

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))	BDBM50303618 ((rac)-1,12-Bis(17-N-cyclobutylmethyl-3-hydroxymorp...) Show SMILES OC(CCCCCCCCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r| Show InChI InChI=1S/C54H80N2O4/c57-49(41-29-39-31-47-43-19-9-11-23-53(43,45(39)33-51(41)59)25-27-55(47)35-37-15-13-16-37)21-7-5-3-1-2-4-6-8-22-50(58)42-30-40-32-48-44-20-10-12-24-54(44,46(40)34-52(42)60)26-28-56(48)36-38-17-14-18-38/h29-30,33-34,37-38,43-44,47-50,57-60H,1-28,31-32,35-36H2/t43-,44-,47+,48+,49?,50?,53+,54+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				J Med Chem 53: 402-18 (2010) Article DOI: 10.1021/jm9013482 BindingDB Entry DOI: 10.7270/Q2668D84
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