Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50172013'   

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 (GUINEA PIG)	BDBM50172013 (CHEMBL370701 | H-Dmt-D-Arg(NO2)-Phe-Lys(Z)-OH) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O |w:19.19| Show InChI InChI=1S/C40H53N9O10/c1-25-20-29(50)21-26(2)30(25)23-31(41)35(51)45-32(17-11-19-43-39(42)48-49(57)58)36(52)47-34(22-27-12-5-3-6-13-27)37(53)46-33(38(54)55)16-9-10-18-44-40(56)59-24-28-14-7-4-8-15-28/h3-8,12-15,20-21,31-34,50H,9-11,16-19,22-24,41H2,1-2H3,(H,44,56)(H,45,51)(H,46,53)(H,47,52)(H,54,55)(H3,42,43,48)/t31?,32-,33+,34+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Agonist activity against mu opioid receptor of guinea pig ileum				J Med Chem 48: 5608-11 (2005) Article DOI: 10.1021/jm0504959 BindingDB Entry DOI: 10.7270/Q2222T9N
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