BDBM153372 BPH-1404

SMILES: NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=ZZSBXPCSUXHMJJ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 153372   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
cis-Farnesyl diphosphate synthase (cis-FPPS) (Mycobacterium tuberculosis H37Rv)	BDBM153372 (BPH-1404) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C26H22N4O6S2/c27-37(33,34)23-13-9-21(10-14-23)29-25(31)19-5-1-17(2-6-19)18-3-7-20(8-4-18)26(32)30-22-11-15-24(16-12-22)38(28,35)36/h1-16H,(H,29,31)(H,30,32)(H2,27,33,34)(H2,28,35,36)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego					Assay Description The IC50 values for the most active hits were verified by radiometric assay as follows. A mixture of 15 µM cis-FPP, 100 nM DPPS, and inhibitors in th...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
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