Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50122551'   

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))	BDBM50122551 (21-azapentacyclo[7.6.6.02,7.010,15.016,21]henicosa...) Show SMILES [H][C@@]12Cc3ccccc3[C@@]([H])(C3=CC=CCC13)[C@]1([H])CCCCN21 |r,wU:9.10,wD:17.20,1.0,c:14,t:12,TLB:22:23:11.16:8.2.3,7:8:23.17:11.16,THB:4:3:23.17:11.16,12:11:23.17:8.2.3,15:16:23.17:8.2.3,19:17:11.16:8.2.3,(3.03,-4.16,;3.51,-5.96,;4.65,-4.68,;5.71,-5.37,;7.19,-5.8,;8.3,-4.73,;7.92,-3.23,;6.44,-2.81,;5.34,-3.88,;3.83,-3.21,;3.92,-5.08,;3.76,-1.71,;2.95,-.4,;1.41,-.45,;.68,-1.8,;1.8,-3.42,;3.03,-3.06,;2.44,-3.99,;2.65,-2.14,;1.29,-2.97,;-.17,-3.45,;-.48,-4.96,;.67,-5.99,;2.13,-5.5,)| Show InChI InChI=1S/C20H23N/c1-2-8-15-14(7-1)13-19-16-9-3-4-10-17(16)20(15)18-11-5-6-12-21(18)19/h1-4,7-8,10,16,18-20H,5-6,9,11-13H2/t16-,18?,19+,20+/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	n/a	n/a	390	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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