Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Decaprenyl diphosphate synthase' and Ligand = 'BDBM153326'   

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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153326 (BPH-1149) Show SMILES CCn1c2ccccc2c2cc(NC(=O)\C=C(/O)C(O)=O)ccc12 Show InChI InChI=1S/C18H16N2O4/c1-2-20-14-6-4-3-5-12(14)13-9-11(7-8-15(13)20)19-17(22)10-16(21)18(23)24/h3-10,21H,2H2,1H3,(H,19,22)(H,23,24)/b16-10-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
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