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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50141010'   
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


(Homo sapiens (Human))
BDBM50141010
PNG
(6-(5-Chloro-2-methyl-benzyl)-5-methyl-pyrido[2,3-d...)
Show SMILES Cc1ccc(Cl)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H16ClN5/c1-8-3-4-12(17)6-10(8)5-11-7-20-15-13(9(11)2)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium


J Med Chem 47: 1475-86 (2004)


Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50141010
PNG
(6-(5-Chloro-2-methyl-benzyl)-5-methyl-pyrido[2,3-d...)
Show SMILES Cc1ccc(Cl)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H16ClN5/c1-8-3-4-12(17)6-10(8)5-11-7-20-15-13(9(11)2)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against dihdrofolate reductace enzyme of humans


J Med Chem 47: 1475-86 (2004)


Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14
More data for this
Ligand-Target Pair