Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50254515'   

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))	BDBM50254515 ((1S,2S,7S,8R,12S,20R,24R,32R)-9,33-bis(cyclopropyl...) Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1NC2C(C[C@@]4(O)[C@H]6Cc7ccc(C(N)=O)c8O[C@@H]2[C@]4(CCN6CC2CC2)c78)C1C[C@@]35O |r| Show InChI InChI=1S/C42H49N5O6/c43-37(48)23-7-5-21-13-27-41(50)15-25-26-16-42(51)28-14-22-6-8-24(38(44)49)34-30(22)40(42,10-12-47(28)18-20-3-4-20)36(53-34)32(26)45-31(25)35-39(41,29(21)33(23)52-35)9-11-46(27)17-19-1-2-19/h5-8,19-20,25-28,31-32,35-36,45,50-51H,1-4,9-18H2,(H2,43,48)(H2,44,49)/t25?,26?,27-,28-,31?,32?,35+,36+,39+,40+,41-,42-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K
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