Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50544378'   

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))	BDBM50544378 (CHEMBL4639111) Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	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))	BDBM50544378 (CHEMBL4639111) Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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))	BDBM50544378 (CHEMBL4639111) Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+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