Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50346953'   

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 (MOUSE)	BDBM50346953 (CHEMBL1795713 | CHEMBL1795716) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@H]4NC(=O)c1cccc(I)c1)ccc5O |r| Show InChI InChI=1S/C24H25IN2O4/c1-27-10-9-23-19-13-5-6-17(28)20(19)31-21(23)16(7-8-24(23,30)18(27)12-13)26-22(29)14-3-2-4-15(25)11-14/h2-6,11,16,18,21,28,30H,7-10,12H2,1H3,(H,26,29)/t16-,18-,21+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-BNtxA from mouse cloned MOR-1 expressed in CHO cell membrane after 90 mins				J Med Chem 55: 6352-62 (2012) Article DOI: 10.1021/jm300305c BindingDB Entry DOI: 10.7270/Q2930V8C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50346953 (CHEMBL1795713 | CHEMBL1795716) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@H]4NC(=O)c1cccc(I)c1)ccc5O |r| Show InChI InChI=1S/C24H25IN2O4/c1-27-10-9-23-19-13-5-6-17(28)20(19)31-21(23)16(7-8-24(23,30)18(27)12-13)26-22(29)14-3-2-4-15(25)11-14/h2-6,11,16,18,21,28,30H,7-10,12H2,1H3,(H,26,29)/t16-,18-,21+,23+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR-1 expressed in CHO cells after 150 mins				Bioorg Med Chem Lett 21: 4001-4 (2011) Article DOI: 10.1016/j.bmcl.2011.05.008 BindingDB Entry DOI: 10.7270/Q29C6ZDF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50346953 (CHEMBL1795713 | CHEMBL1795716) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@H]4NC(=O)c1cccc(I)c1)ccc5O |r| Show InChI InChI=1S/C24H25IN2O4/c1-27-10-9-23-19-13-5-6-17(28)20(19)31-21(23)16(7-8-24(23,30)18(27)12-13)26-22(29)14-3-2-4-15(25)11-14/h2-6,11,16,18,21,28,30H,7-10,12H2,1H3,(H,26,29)/t16-,18-,21+,23+,24-/m1/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	0.0800	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Binding affinity to MOR-1 expressed in CHO cells after 90 mins				Bioorg Med Chem Lett 21: 4001-4 (2011) Article DOI: 10.1016/j.bmcl.2011.05.008 BindingDB Entry DOI: 10.7270/Q29C6ZDF
					More data for this Ligand-Target Pair