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SMILES: CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N

InChI Key: InChIKey=REBWGBABQKOFTB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95173   
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
Probable nicotinate-nucleotide adenylyltransferase


(Staphylococcus aureus subsp. aureus N315)		BDBM95173
PNG
(MLS000438847 | SMR000452599 | [3-(4-cyanophenyl)-7...)
Show SMILES CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:15,18,t:13|
Show InChI InChI=1S/C23H19NO5/c1-23(29-22(27)16-4-2-3-5-16)20(25)11-17-10-19(28-13-18(17)21(23)26)15-8-6-14(12-24)7-9-15/h6-11,13,16H,2-5H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 1.57E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BV7F7H
More data for this
Ligand-Target Pair