Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50545666'   

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))	BDBM50545666 (CHEMBL4649485) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1N(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C40H43N3O3/c1-42(2)32-13-7-6-12-31(32)30-21-29-23-40(45-20-8-11-26-9-4-3-5-10-26)34-22-28-16-17-33(44)37-35(28)39(40,38(46-37)36(29)41-24-30)18-19-43(34)25-27-14-15-27/h3-7,9-10,12-13,16-17,21,24,27,34,38,44H,8,11,14-15,18-20,22-23,25H2,1-2H3/t34-,38+,39+,40-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...				J Med Chem 63: 7663-7694 (2020) Article DOI: 10.1021/acs.jmedchem.0c00503 BindingDB Entry DOI: 10.7270/Q2B56P91
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50545666 (CHEMBL4649485) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1N(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C40H43N3O3/c1-42(2)32-13-7-6-12-31(32)30-21-29-23-40(45-20-8-11-26-9-4-3-5-10-26)34-22-28-16-17-33(44)37-35(28)39(40,38(46-37)36(29)41-24-30)18-19-43(34)25-27-14-15-27/h3-7,9-10,12-13,16-17,21,24,27,34,38,44H,8,11,14-15,18-20,22-23,25H2,1-2H3/t34-,38+,39+,40-/m1/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	233	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay				J Med Chem 63: 7663-7694 (2020) Article DOI: 10.1021/acs.jmedchem.0c00503 BindingDB Entry DOI: 10.7270/Q2B56P91
					More data for this Ligand-Target Pair