Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50544339'   

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))	BDBM50544339 (CHEMBL4639379) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human MOR measured after 120 mins by scintillation counting analysis				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50544339 (CHEMBL4639379) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human MOR expressed in CHOK1 cells assessed as inhibition of DAMGO-induced increase in cAMP accumulation measured after 10 min...				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50544339 (CHEMBL4639379) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHOK1 cells assessed as increase in cAMP accumulation measured after 10 mins by HTRF assay				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair