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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50100260'   
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


(Pneumocystis carinii)
BDBM50100260
PNG
(CHEMBL293258 | Phosphoric acid mono-[3-hydroxy-5-(...)
Show SMILES Cc1cn(C2CC(O)C(OP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8P/c1-4-3-11(9(14)10-7(4)13)6-2-5(12)8(18-6)19-20(15,16)17/h3,5-6,8,12H,2H2,1H3,(H,10,13,14)(H2,15,16,17)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 44: 1993-2003 (2001)


BindingDB Entry DOI: 10.7270/Q2CJ8F6N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50100260
PNG
(CHEMBL293258 | Phosphoric acid mono-[3-hydroxy-5-(...)
Show SMILES Cc1cn(C2CC(O)C(OP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8P/c1-4-3-11(9(14)10-7(4)13)6-2-5(12)8(18-6)19-20(15,16)17/h3,5-6,8,12H,2H2,1H3,(H,10,13,14)(H2,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver dihydrofolate reductase


J Med Chem 44: 1993-2003 (2001)


BindingDB Entry DOI: 10.7270/Q2CJ8F6N
More data for this
Ligand-Target Pair