Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50369823'   

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))	BDBM50369823 (CHEMBL1169582) Show SMILES CO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:7,TLB:14:15:6:19.21.22,2:4:23.12:8.7,22:23:5.4:8.7,20:19:15.16.17:6,THB:15:23:5.4:8.7,5:6:15.16.17:19.21.22,7:6:15.16.17:19.21.22,13:12:5.4:8.7| Show InChI InChI=1S/C23H29NO4/c1-13(26-3)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(25)19(28-20)18(14)22/h5-8,13,15,17,20,25H,9-12H2,1-4H3/t13-,15-,17?,20-,21?,22?,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	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))	BDBM50369823 (CHEMBL1169582) Show SMILES CO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:7,TLB:14:15:6:19.21.22,2:4:23.12:8.7,22:23:5.4:8.7,20:19:15.16.17:6,THB:15:23:5.4:8.7,5:6:15.16.17:19.21.22,7:6:15.16.17:19.21.22,13:12:5.4:8.7| Show InChI InChI=1S/C23H29NO4/c1-13(26-3)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(25)19(28-20)18(14)22/h5-8,13,15,17,20,25H,9-12H2,1-4H3/t13-,15-,17?,20-,21?,22?,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	35	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