Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50084278'   

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))	BDBM50084278 (7,7-Spiro analogue ofBuprinorphine | CHEMBL281986) Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:27:26:5:31.15.14,31:23:7.6:4.3,11:7:23.22:4.3,20:31:5:26.24.25,21:22:7.6:4.3,6:5:31.15.14:26.24.25,THB:4:5:31.15.14:26.24.25,24:23:7.6:4.3| Show InChI InChI=1S/C27H33NO4/c1-31-27-10-9-24(15-25(27)8-2-3-20(25)30)19-13-17-6-7-18(29)22-21(17)26(24,23(27)32-22)11-12-28(19)14-16-4-5-16/h6-7,9-10,16,19-20,23,29-30H,2-5,8,11-15H2,1H3/t19?,20-,23+,24?,25?,26?,27+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	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 to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.				J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50084278 (7,7-Spiro analogue ofBuprinorphine | CHEMBL281986) Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:27:26:5:31.15.14,31:23:7.6:4.3,11:7:23.22:4.3,20:31:5:26.24.25,21:22:7.6:4.3,6:5:31.15.14:26.24.25,THB:4:5:31.15.14:26.24.25,24:23:7.6:4.3| Show InChI InChI=1S/C27H33NO4/c1-31-27-10-9-24(15-25(27)8-2-3-20(25)30)19-13-17-6-7-18(29)22-21(17)26(24,23(27)32-22)11-12-28(19)14-16-4-5-16/h6-7,9-10,16,19-20,23,29-30H,2-5,8,11-15H2,1H3/t19?,20-,23+,24?,25?,26?,27+/m1/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	2.80	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cells				J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X
					More data for this Ligand-Target Pair