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BDBM131848 US8835445, 28

SMILES: Cc1cc2c(N)nc(N)nc2cc1-c1cc(CO)ncc1Cl

InChI Key: InChIKey=HYKSNPURZZNCNE-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 131848   
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
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM131848
PNG
(US8835445, 28)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1cc(CO)ncc1Cl
Show InChI InChI=1S/C15H14ClN5O/c1-7-2-11-13(20-15(18)21-14(11)17)4-9(7)10-3-8(6-22)19-5-12(10)16/h2-5,22H,6H2,1H3,(H4,17,18,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.720n/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))
BDBM131848
PNG
(US8835445, 28)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1cc(CO)ncc1Cl
Show InChI InChI=1S/C15H14ClN5O/c1-7-2-11-13(20-15(18)21-14(11)17)4-9(7)10-3-8(6-22)19-5-12(10)16/h2-5,22H,6H2,1H3,(H4,17,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
56n/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