Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50395064'   

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))	BDBM50395064 (CHEMBL2163912) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C35H37ClN6O5/c1-20(32(38)44)31(22-6-4-7-24(36)17-22)41-33(45)29(18-23-19-39-28-9-3-2-8-26(23)28)40-34(46)30-10-5-15-42(30)35(47)27(37)16-21-11-13-25(43)14-12-21/h2-4,6-9,11-14,17,19,27,29-31,39,43H,1,5,10,15-16,18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/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	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50395064 (CHEMBL2163912) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C35H37ClN6O5/c1-20(32(38)44)31(22-6-4-7-24(36)17-22)41-33(45)29(18-23-19-39-28-9-3-2-8-26(23)28)40-34(46)30-10-5-15-42(30)35(47)27(37)16-21-11-13-25(43)14-12-21/h2-4,6-9,11-14,17,19,27,29-31,39,43H,1,5,10,15-16,18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395064 (CHEMBL2163912) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C35H37ClN6O5/c1-20(32(38)44)31(22-6-4-7-24(36)17-22)41-33(45)29(18-23-19-39-28-9-3-2-8-26(23)28)40-34(46)30-10-5-15-42(30)35(47)27(37)16-21-11-13-25(43)14-12-21/h2-4,6-9,11-14,17,19,27,29-31,39,43H,1,5,10,15-16,18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/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	0.720	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by liqui...				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair