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BDBM11976 5-chloro-2-(5-{[(4E)-3,8-dioxo-5,16-dithia-2,7-diazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),6,10(15)-trien-4-ylidene]methyl}furan-2-yl)benzoic acid::chemical diversity library compound 1

SMILES: OC(=O)c1cc(Cl)ccc1-c1ccc(\C=c2\sc3nc(=O)c4c5CCCCc5sc4n3c2=O)o1

InChI Key: InChIKey=GMZMCGWDPXYCHY-VCHYOVAHSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11976   
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
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM11976
PNG
(5-chloro-2-(5-{[(4E)-3,8-dioxo-5,16-dithia-2,7-dia...)
Show SMILES OC(=O)c1cc(Cl)ccc1-c1ccc(\C=c2\sc3nc(=O)c4c5CCCCc5sc4n3c2=O)o1
Show InChI InChI=1S/C24H15ClN2O5S2/c25-11-5-7-13(15(9-11)23(30)31)16-8-6-12(32-16)10-18-21(29)27-22-19(20(28)26-24(27)34-18)14-3-1-2-4-17(14)33-22/h5-10H,1-4H2,(H,30,31)/b18-10+
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PC cid
PC sid
UniChem
Article
PubMed
800 -8.37 1.10E+3n/an/an/an/a7.227



Montana State University



Assay Description
For selected lead compounds from fluorescence-based high-throughput screening, Km and Vmax were calculated using the double-reciprocal Lineweaver-Bur...


J Med Chem 49: 5232-44 (2006)


Article DOI: 10.1021/jm0605132
BindingDB Entry DOI: 10.7270/Q20C4T19
More data for this
Ligand-Target Pair