Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM203859'   

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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM203859 (2-(2-Chloro-3,4-dimethoxy-benzylidene)-7-nitro-tet...) Show SMILES COc1ccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Cl)c1OC Show InChI InChI=1S/C19H16ClNO5/c1-25-16-8-6-12(17(20)19(16)26-2)9-13-4-3-11-5-7-14(21(23)24)10-15(11)18(13)22/h5-10H,3-4H2,1-2H3/b13-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	8.0	25
Wuhan University of Technology					Assay Description This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...				Chem Biol Drug Des 88: 889-898 (2016) Article DOI: 10.1111/cbdd.12822 BindingDB Entry DOI: 10.7270/Q2TX3D65
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