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SMILES: O=C(Nc1ccc(CCC2=NCCN2)cc1)c1ccc(cc1)C(=O)Nc1ccc(CCC2=NCCN2)cc1

InChI Key: InChIKey=BYTSYZVUIZJALD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 153334   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Decaprenyl diphosphate synthase


(Mycobacterium tuberculosis H37Rv)		BDBM153334
PNG
(BPH-1413)
Show SMILES O=C(Nc1ccc(CCC2=NCCN2)cc1)c1ccc(cc1)C(=O)Nc1ccc(CCC2=NCCN2)cc1 |t:9,34|
Show InChI InChI=1S/C30H32N6O2/c37-29(35-25-11-1-21(2-12-25)5-15-27-31-17-18-32-27)23-7-9-24(10-8-23)30(38)36-26-13-3-22(4-14-26)6-16-28-33-19-20-34-28/h1-4,7-14H,5-6,15-20H2,(H,31,32)(H,33,34)(H,35,37)(H,36,38)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.80E+3n/an/an/an/a7.5n/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
More data for this
Ligand-Target Pair