Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50545482'   

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))	BDBM50545482 (CHEMBL4649733) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1C(=O)CCc1ccccc1)Cc1nc4ccccc4cc1C[C@@]23O |r,THB:14:13:9.3.2:36| Show InChI InChI=1S/C32H30N2O3/c35-25-12-11-22-17-29-32(37)19-24-16-23-8-4-5-9-27(23)33-28(24)20-31(32,26(22)18-25)14-15-34(29)30(36)13-10-21-6-2-1-3-7-21/h1-9,11-12,16,18,29,35,37H,10,13-15,17,19-20H2/t29-,31-,32-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127176 BindingDB Entry DOI: 10.7270/Q2W380XV
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