Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50276409'   

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))	BDBM50276409 ((1S,2S)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...) Show SMILES COCCN[C@H]1[C@@H](CCc2ccccc12)c1ccsc1 |r| Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 1228-32 (2009) Article DOI: 10.1016/j.bmcl.2008.12.095 BindingDB Entry DOI: 10.7270/Q2GT5N2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276409 ((1S,2S)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...) Show SMILES COCCN[C@H]1[C@@H](CCc2ccccc12)c1ccsc1 |r| Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 19: 1228-32 (2009) Article DOI: 10.1016/j.bmcl.2008.12.095 BindingDB Entry DOI: 10.7270/Q2GT5N2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276409 ((1S,2S)-N-(2-methoxyethyl)-2-(thiophen-3-yl)-1,2,3...) Show SMILES COCCN[C@H]1[C@@H](CCc2ccccc12)c1ccsc1 |r| Show InChI InChI=1S/C17H21NOS/c1-19-10-9-18-17-15-5-3-2-4-13(15)6-7-16(17)14-8-11-20-12-14/h2-5,8,11-12,16-18H,6-7,9-10H2,1H3/t16-,17+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 19: 1228-32 (2009) Article DOI: 10.1016/j.bmcl.2008.12.095 BindingDB Entry DOI: 10.7270/Q2GT5N2W
					More data for this Ligand-Target Pair