Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Decaprenyl diphosphate synthase' and Ligand = 'BDBM153348'   

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)	BDBM153348 (BPH-309) Show SMILES OC(Cc1cccc(c1)-c1cc(F)cc(F)c1)(P(O)(O)=O)P(O)(=O)O[Na] Show InChI InChI=1S/C14H14F2O7P2.Na/c15-12-5-11(6-13(16)7-12)10-3-1-2-9(4-10)8-14(17,24(18,19)20)25(21,22)23;/h1-7,17H,8H2,(H2,18,19,20)(H2,21,22,23);/q;+1/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by ...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
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