Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50105078'   

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))	BDBM50105078 (1-{1-[3-(4,5-Dimethoxy-2-nitro-phenyl)-acryloyl]-p...) Show SMILES COc1cc(\C=C\C(=O)N2CCC(CC2)n2[c-]3ccccc3nc2=[OH+])c(cc1OC)[N+]([O-])=O Show InChI InChI=1S/C23H23N4O6/c1-32-20-13-15(19(27(30)31)14-21(20)33-2)7-8-22(28)25-11-9-16(10-12-25)26-18-6-4-3-5-17(18)24-23(26)29/h3-8,13-14,16H,9-12H2,1-2H3/q-1/p+1/b8-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu opiate receptor				J Med Chem 44: 3391-401 (2001) BindingDB Entry DOI: 10.7270/Q2057GN9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105078 (1-{1-[3-(4,5-Dimethoxy-2-nitro-phenyl)-acryloyl]-p...) Show SMILES COc1cc(\C=C\C(=O)N2CCC(CC2)n2[c-]3ccccc3nc2=[OH+])c(cc1OC)[N+]([O-])=O Show InChI InChI=1S/C23H23N4O6/c1-32-20-13-15(19(27(30)31)14-21(20)33-2)7-8-22(28)25-11-9-16(10-12-25)26-18-6-4-3-5-17(18)24-23(26)29/h3-8,13-14,16H,9-12H2,1-2H3/q-1/p+1/b8-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
F-59000 Lille Curated by ChEMBL					Assay Description Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand				J Med Chem 44: 3378-90 (2001) BindingDB Entry DOI: 10.7270/Q23X87B8
					More data for this Ligand-Target Pair