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SMILES: OC[C@H]1O[C@@H](Oc2cccc(c2)C#Cc2ccc(cc2)C#Cc2cccc(c2)C2=NCCN2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=WCEVWKTZDXIJPI-PAVKSNICSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 153371   
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
Short-chain Z-isoprenyl diphosphate synthase


(Mycobacterium tuberculosis H37Rv)		BDBM153371
PNG
(BPH-1437)
Show SMILES OC[C@H]1O[C@@H](Oc2cccc(c2)C#Cc2ccc(cc2)C#Cc2cccc(c2)C2=NCCN2)[C@H](O)[C@@H](O)[C@@H]1O |r,t:31|
Show InChI InChI=1S/C31H28N2O6/c34-19-26-27(35)28(36)29(37)31(39-26)38-25-6-2-4-23(18-25)14-12-21-9-7-20(8-10-21)11-13-22-3-1-5-24(17-22)30-32-15-16-33-30/h1-10,17-18,26-29,31,34-37H,15-16,19H2,(H,32,33)/t26-,27-,28+,29-,31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair