Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50026888'   

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))	BDBM50026888 (CHEMBL2113671) Show SMILES [H][C@](C)(OCc1ccccc1)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:16,TLB:23:24:14:29.31.32,1:11:33.20:16.15,30:29:24.25.26:14,THB:13:14:24.25.26:29.31.32,15:14:24.25.26:29.31.32| Show InChI InChI=1S/C29H33NO4/c1-18(33-17-19-7-5-4-6-8-19)21-16-27-11-12-29(21,32-3)26-28(27)13-14-30(2)23(27)15-20-9-10-22(31)25(34-26)24(20)28/h4-12,18,21,23,26,31H,13-17H2,1-3H3/t18-,21+,23-,26+,27-,28?,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor mu 1 transfected onto CHO cells using [3H]DAMGO				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50026888 (CHEMBL2113671) Show SMILES [H][C@](C)(OCc1ccccc1)[C@]1([H])C[C@]23C=C[C@]1(OC)[C@@]1([H])Oc4c5c(C[C@@]2([H])N(C)CCC315)ccc4O |r,c:16,TLB:23:24:14:29.31.32,1:11:33.20:16.15,30:29:24.25.26:14,THB:13:14:24.25.26:29.31.32,15:14:24.25.26:29.31.32| Show InChI InChI=1S/C29H33NO4/c1-18(33-17-19-7-5-4-6-8-19)21-16-27-11-12-29(21,32-3)26-28(27)13-14-30(2)23(27)15-20-9-10-22(31)25(34-26)24(20)28/h4-12,18,21,23,26,31H,13-17H2,1-3H3/t18-,21+,23-,26+,27-,28?,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description EC50 for binding of [35S]- GTPdeltaS in cloned human Opioid receptor mu 1 (DAMGO) transfected onto CHO cells				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair