Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM102421'   

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 (Rattus norvegicus (rat))	BDBM102421 (US8536192, I-288) Show SMILES COCC(C)(COC)NC(=O)C1C[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H](C1=O)[C@]2(CCN3CC1CC1)c45 |r,TLB:12:13:35.17.16:28.30.29,THB:14:13:35.17.16:28.30.29| Show InChI InChI=1S/C27H36N2O7/c1-25(13-34-2,14-35-3)28-24(32)17-11-27(33)19-10-16-6-7-18(30)22-20(16)26(27,23(36-22)21(17)31)8-9-29(19)12-15-4-5-15/h6-7,15,17,19,23,30,33H,4-5,8-14H2,1-3H3,(H,28,32)/t17?,19-,23+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14.4	-44.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Shionogi & Co. Ltd. US Patent					Assay Description Binding assay of opioid receptor.				US Patent US8536192 (2013) BindingDB Entry DOI: 10.7270/Q24M935Z
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