BDBM153352 BPH-782

SMILES: OC(Cc1cccc(c1)-c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c1)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=VLEYSQCWWCIXJC-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 153352   

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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153352 (BPH-782) Show SMILES OC(Cc1cccc(c1)-c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C26H25NO9P2S/c28-26(37(29,30)31,38(32,33)34)18-19-6-4-9-22(16-19)23-10-5-11-24(17-23)27-39(35,36)25-14-12-21(13-15-25)20-7-2-1-3-8-20/h1-17,27-28H,18H2,(H2,29,30,31)(H2,32,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	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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