Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylesterase 1D' and Ligand = 'BDBM50448893'   

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
Carboxylesterase 1D (Mus musculus)	BDBM50448893 (CHEMBL3125287) Show SMILES CS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 |w:4.3| Show InChI InChI=1S/C24H26N2O4S/c1-31(28,29)16-15-20-13-14-21(25-17-20)23-18-26-24(30-23)22(27)12-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,13-18H,2-3,5,8-9,12H2,1H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of mouse heart membrane TGH preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence sc...				J Med Chem 57: 1079-89 (2014) Article DOI: 10.1021/jm401820q BindingDB Entry DOI: 10.7270/Q2HX1F5K
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