Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50101157'   

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))	BDBM50101157 (CHEMBL3326231) Show SMILES CN(C)[C@]1(CC[C@]2(CCCc3c2[nH]c2ccccc32)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(24.76,-23.84,;23.27,-24.25,;22.17,-23.17,;22.88,-25.75,;22.1,-27.07,;20.58,-27.07,;19.81,-25.74,;18.9,-27,;17.36,-26.84,;16.74,-25.42,;17.64,-24.17,;19.18,-24.34,;19.81,-22.92,;18.67,-21.89,;18.66,-20.34,;17.33,-19.57,;16,-20.34,;15.99,-21.89,;17.33,-22.66,;20.58,-24.41,;22.11,-24.42,;24.41,-25.76,;25.17,-27.1,;26.71,-27.11,;27.49,-25.77,;26.72,-24.43,;25.18,-24.43,)| Show InChI InChI=1S/C25H30N2/c1-27(2)25(19-9-4-3-5-10-19)17-15-24(16-18-25)14-8-12-21-20-11-6-7-13-22(20)26-23(21)24/h3-7,9-11,13,26H,8,12,14-18H2,1-2H3/t24-,25+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
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