Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50544372'   

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))	BDBM50544372 (CHEMBL4640438) Show SMILES O=C(N[C@H]1CCCNC1)[C@H]1CN(C[C@@H]1NC(=O)c1cc(on1)-c1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H29N5O5S/c32-25(28-19-10-7-13-27-15-19)21-16-31(37(34,35)20-11-5-2-6-12-20)17-23(21)29-26(33)22-14-24(36-30-22)18-8-3-1-4-9-18/h1-6,8-9,11-12,14,19,21,23,27H,7,10,13,15-17H2,(H,28,32)(H,29,33)/t19-,21-,23-/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	501	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))	BDBM50544372 (CHEMBL4640438) Show SMILES O=C(N[C@H]1CCCNC1)[C@H]1CN(C[C@@H]1NC(=O)c1cc(on1)-c1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H29N5O5S/c32-25(28-19-10-7-13-27-15-19)21-16-31(37(34,35)20-11-5-2-6-12-20)17-23(21)29-26(33)22-14-24(36-30-22)18-8-3-1-4-9-18/h1-6,8-9,11-12,14,19,21,23,27H,7,10,13,15-17H2,(H,28,32)(H,29,33)/t19-,21-,23-/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))	BDBM50544372 (CHEMBL4640438) Show SMILES O=C(N[C@H]1CCCNC1)[C@H]1CN(C[C@@H]1NC(=O)c1cc(on1)-c1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H29N5O5S/c32-25(28-19-10-7-13-27-15-19)21-16-31(37(34,35)20-11-5-2-6-12-20)17-23(21)29-26(33)22-14-24(36-30-22)18-8-3-1-4-9-18/h1-6,8-9,11-12,14,19,21,23,27H,7,10,13,15-17H2,(H,28,32)(H,29,33)/t19-,21-,23-/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	2.51E+4	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