Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50122522'   

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))	BDBM50122522 (1-[16-methyl-17-azatetracyclo[7.6.2.02,7.010,15]he...) Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1C(C)=O |wU:2.2,9.19,8.7,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.08,-1.82,;7.66,-2.36,;3.9,-1.13,;3.9,.41,;3.9,1.96,;5.23,2.73,;6.56,1.98,;6.56,.42,;5.23,-.36,;5.46,-4.22,;3.92,-4.22,;2.57,-3.45,;1.24,-4.22,;-.09,-3.45,;-.09,-1.91,;1.24,-1.13,;2.57,-1.9,;6.89,-3.71,;7.89,-4.88,;7.36,-6.33,;9.4,-4.62,)| Show InChI InChI=1S/C19H21NO/c1-12-19-15-8-4-3-7-14(15)11-18(20(12)13(2)21)16-9-5-6-10-17(16)19/h3-8,10,12,16,18-19H,9,11H2,1-2H3/t12-,16-,18+,19+/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	>9.50E+3	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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