Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50122548'   

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))	BDBM50122548 (16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]...) Show SMILES C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1C |wU:2.2,10.21,9.9,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(9.83,-3.2,;8.73,-4.3,;4.91,-3.04,;4.91,-1.5,;4.91,.05,;6.24,.82,;6.24,2.36,;7.57,.05,;7.57,-1.5,;6.24,-2.27,;6.45,-6.14,;4.91,-6.14,;3.58,-5.37,;2.25,-6.14,;.91,-5.37,;.91,-3.83,;-.44,-3.03,;2.25,-3.04,;3.58,-3.81,;7.89,-5.58,;8.85,-6.79,)| Show InChI InChI=1S/C18H21NO2/c1-10-18-15-8-12(20)4-3-11(15)7-17(19(10)2)14-6-5-13(21)9-16(14)18/h3-4,8-10,14,17-18,20H,5-7H2,1-2H3/t10-,14-,17+,18+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
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