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BDBM50041178 5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyrimidine-2,4-diamine::5-[(3,4-Dichloro-phenylamino)-methyl]-furo[2,3-d]pyrimidine-2,4-diamine::CHEMBL274278

SMILES: Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1

InChI Key: InChIKey=IQXPYLVUVFJOHY-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50041178   
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)
BDBM50041178
PNG
(5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1
Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)
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Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for DHFR in Pneumocystis carinii


J Med Chem 37: 1169-76 (1994)


Article DOI: 10.1021/jm00034a015
BindingDB Entry DOI: 10.7270/Q2K64H4G
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50041178
PNG
(5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1
Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)
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Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for DHFR in recombinant human


J Med Chem 37: 1169-76 (1994)


Article DOI: 10.1021/jm00034a015
BindingDB Entry DOI: 10.7270/Q2K64H4G
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50041178
PNG
(5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1
Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)
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Article
PubMed
n/an/a 8.93E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for DHFR in Toxoplasma gondii


J Med Chem 37: 1169-76 (1994)


Article DOI: 10.1021/jm00034a015
BindingDB Entry DOI: 10.7270/Q2K64H4G
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50041178
PNG
(5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1
Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)
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UniChem

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Article
PubMed
n/an/a 8.93E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay


Bioorg Med Chem 18: 1684-701 (2010)


Article DOI: 10.1016/j.bmc.2009.12.066
BindingDB Entry DOI: 10.7270/Q2668D9K
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50041178
PNG
(5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1
Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)
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PubMed
n/an/a 3.52E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for DHFR in rat liver


J Med Chem 37: 1169-76 (1994)


Article DOI: 10.1021/jm00034a015
BindingDB Entry DOI: 10.7270/Q2K64H4G
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50041178
PNG
(5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1
Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)
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UniChem

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Article
PubMed
n/an/a 3.52E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver DHFR by spectrophotometric assay


Bioorg Med Chem 18: 1684-701 (2010)


Article DOI: 10.1016/j.bmc.2009.12.066
BindingDB Entry DOI: 10.7270/Q2668D9K
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50041178
PNG
(5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyri...)
Show SMILES Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1
Show InChI InChI=1S/C13H11Cl2N5O/c14-8-2-1-7(3-9(8)15)18-4-6-5-21-12-10(6)11(16)19-13(17)20-12/h1-3,5,18H,4H2,(H4,16,17,19,20)
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KEGG

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UniChem

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Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound for DHFR in Lactobacillus casei


J Med Chem 37: 1169-76 (1994)


Article DOI: 10.1021/jm00034a015
BindingDB Entry DOI: 10.7270/Q2K64H4G
More data for this
Ligand-Target Pair