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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50031869'   
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


(Rattus norvegicus (rat))
BDBM50031869
PNG
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22)
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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50031869
PNG
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22)
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PubMed
n/an/a 17n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)
BDBM50031869
PNG
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 22n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Concentration inhibiting P. carinii dihydrofolate reductase


J Med Chem 38: 2615-20 (1995)


BindingDB Entry DOI: 10.7270/Q2736PXG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50031869
PNG
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 32n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Concentration inhibiting rat liver dihydrofolate reductase .


J Med Chem 38: 2615-20 (1995)


BindingDB Entry DOI: 10.7270/Q2736PXG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)
BDBM50031869
PNG
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50031869
PNG
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22)
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair