Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50122542'   

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))	BDBM50122542 (17-cyclopropylmethyl-16-methyl-17-azatetracyclo[7....) Show SMILES C[C@@H]1[C@@H]2C3=CC(=O)CC[C@H]3[C@H](Cc3ccc(O)cc23)N1CC1CC1 |wU:2.2,10.21,9.8,1.0,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:13:12:19.1:3.9,20:19:3.9:18.12.11,8:9:19.1:18.12.11,(9.83,-1.73,;8.73,-2.83,;4.91,-1.57,;4.91,-.02,;4.91,1.53,;6.24,2.3,;6.24,3.84,;7.57,1.53,;7.57,-.02,;6.24,-.79,;6.45,-4.65,;4.91,-4.65,;3.58,-3.88,;2.25,-4.65,;.91,-3.88,;.91,-2.34,;-.44,-1.55,;2.25,-1.57,;3.58,-2.34,;7.89,-4.11,;8.85,-5.3,;8.29,-6.75,;7.09,-7.7,;8.52,-8.27,)| Show InChI InChI=1S/C21H25NO2/c1-12-21-18-9-15(23)5-4-14(18)8-20(22(12)11-13-2-3-13)17-7-6-16(24)10-19(17)21/h4-5,9-10,12-13,17,20-21,23H,2-3,6-8,11H2,1H3/t12-,17-,20+,21+/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	6.40	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
					More data for this Ligand-Target Pair