Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50506226'   

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 (MOUSE)	BDBM50506226 (CHEMBL4439476) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1coc2ccccc12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-35-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)36-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay				J Med Chem 62: 11399-11415 (2019) Article DOI: 10.1021/acs.jmedchem.9b01767 BindingDB Entry DOI: 10.7270/Q2G73J1K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50506226 (CHEMBL4439476) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1coc2ccccc12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-35-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)36-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...				J Med Chem 62: 11399-11415 (2019) Article DOI: 10.1021/acs.jmedchem.9b01767 BindingDB Entry DOI: 10.7270/Q2G73J1K
					More data for this Ligand-Target Pair