BDBM153324 BPH-1257

SMILES: CCCCCCCCCCOc1cc(cc(c1)C(=O)OC)C(=O)Nc1ccc(cc1C(O)=O)S(N)(=O)=O

InChI Key: InChIKey=BGLFVVLJXQCHIJ-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 = 153324   

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)	BDBM153324 (BPH-1257) Show SMILES CCCCCCCCCCOc1cc(cc(c1)C(=O)OC)C(=O)Nc1ccc(cc1C(O)=O)S(N)(=O)=O Show InChI InChI=1S/C26H34N2O8S/c1-3-4-5-6-7-8-9-10-13-36-20-15-18(14-19(16-20)26(32)35-2)24(29)28-23-12-11-21(37(27,33)34)17-22(23)25(30)31/h11-12,14-17H,3-10,13H2,1-2H3,(H,28,29)(H,30,31)(H2,27,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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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