Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50122519'   

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))	BDBM50122519 (16,17-dimethyl-13-methylcarbonyloxy-17-azatetracyc...) Show SMILES C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1C |wU:2.2,13.27,12.12,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-3.93,;9.36,-5.02,;5.54,-3.76,;5.54,-2.22,;5.54,-.66,;6.87,.11,;6.87,1.65,;8.2,2.42,;8.2,3.96,;9.53,1.65,;8.2,-.66,;8.2,-2.22,;6.87,-2.99,;7.08,-6.84,;5.54,-6.84,;4.21,-6.07,;2.88,-6.84,;1.54,-6.07,;1.54,-4.53,;.19,-3.74,;.19,-2.2,;1.54,-1.45,;-1.14,-1.42,;2.88,-3.76,;4.21,-4.53,;8.52,-6.3,;9.48,-7.5,)| Show InChI InChI=1S/C22H25NO4/c1-12-22-19-10-16(26-13(2)24)6-5-15(19)9-21(23(12)4)18-8-7-17(11-20(18)22)27-14(3)25/h5-7,10-12,18,21-22H,8-9H2,1-4H3/t12-,18-,21+,22+/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	200	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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