Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50027007'   

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))	BDBM50027007 (CHEMBL2112841) Show SMILES [H][C@@]1(Cc2ccccc2)N(C)[C@]2([H])Cc3ccccc3[C@@]1([H])c1ccccc21 |TLB:18:19:9.1:22.27,THB:10:9:22.27:19.13.14,23:22:9.1:19.13.14,2:1:22.27:19.13.14,15:14:9.1:22.27| Show InChI InChI=1S/C24H23N/c1-25-22-16-18-11-5-6-12-19(18)24(21-14-8-7-13-20(21)22)23(25)15-17-9-3-2-4-10-17/h2-14,22-24H,15-16H2,1H3/t22-,23+,24+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
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