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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM131840'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Staphylococcus aureus)
BDBM131840
PNG
(US8835445, 11)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1cccc(c1)[N+]#[C-]
Show InChI InChI=1S/C16H13N5/c1-9-6-13-14(20-16(18)21-15(13)17)8-12(9)10-4-3-5-11(7-10)19-2/h3-8H,1H3,(H4,17,18,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.20n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM131840
PNG
(US8835445, 11)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1cccc(c1)[N+]#[C-]
Show InChI InChI=1S/C16H13N5/c1-9-6-13-14(20-16(18)21-15(13)17)8-12(9)10-4-3-5-11(7-10)19-2/h3-8H,1H3,(H4,17,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
55n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair