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BDBM50031869 6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrido[3,2-d]pyrimidine-2,4-diamine::6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-pyrido[3,2-d]pyrimidine-2,4-diamine::6-{[(4,5-Dichloro-phenyl)-methyl-amino]-methyl}-pyrido[3,2-d]pyrimidine-2,4-diamine::CHEMBL300603

SMILES: CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=DIJUWZJIGDFPAA-UHFFFAOYSA-N

Data: 9 IC50

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 9 hits for monomerid = 50031869   
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)


(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
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PC cid
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PubMed
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 (DHFR)


(Toxoplasma gondii)
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

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UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

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PubMed
n/an/a 98n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Concentration inhibiting T. gondii 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 (DHFR)


(Toxoplasma gondii)
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

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PC cid
PC sid
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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii 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 (DHFR)


(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
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PC sid
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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)
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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
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)
PDB
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Article
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 (DHFR)


(Toxoplasma gondii)
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

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii 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


(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)
PDB
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Reactome pathway
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PC sid
UniChem

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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