Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50122854'   

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))	BDBM50122854 (7N-heptyl-22-cyclopropylmethyl-2,16-dihydroxy-14-o...) Show SMILES CCCCCCCNC(=O)c1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28| Show InChI InChI=1S/C34H41N3O4/c1-2-3-4-5-6-14-35-32(39)22-9-11-25-23(16-22)24-18-34(40)27-17-21-10-12-26(38)30-28(21)33(34,31(41-30)29(24)36-25)13-15-37(27)19-20-7-8-20/h9-12,16,20,27,31,36,38,40H,2-8,13-15,17-19H2,1H3,(H,35,39)/t27?,31-,33-,34+/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	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells				J Med Chem 46: 314-7 (2003) Article DOI: 10.1021/jm020997b BindingDB Entry DOI: 10.7270/Q2PK0GW4
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