Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50340644'   

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))	BDBM50340644 (CHEMBL4169199) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H]1OC(=O)N([C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r| Show InChI InChI=1S/C18H14N4O3S/c1-10-2-7-14-13(8-10)16(17(25)19-14)20-21-18-22(15(24)9-26-18)11-3-5-12(23)6-4-11/h2-8,23H,9H2,1H3,(H,19,20,25)/b21-18-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membranes after 2 hrs by liquid scintillation spectrometry				J Med Chem 61: 5751-5757 (2018) Article DOI: 10.1021/acs.jmedchem.8b00296 BindingDB Entry DOI: 10.7270/Q2NV9MTR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50340644 (CHEMBL4169199) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H]1OC(=O)N([C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O |r| Show InChI InChI=1S/C18H14N4O3S/c1-10-2-7-14-13(8-10)16(17(25)19-14)20-21-18-22(15(24)9-26-18)11-3-5-12(23)6-4-11/h2-8,23H,9H2,1H3,(H,19,20,25)/b21-18-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in HEK293 assessed as inhibition forskolin-induced cAMP accumulation after 15 mins by EIA				J Med Chem 61: 5751-5757 (2018) Article DOI: 10.1021/acs.jmedchem.8b00296 BindingDB Entry DOI: 10.7270/Q2NV9MTR
					More data for this Ligand-Target Pair