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BDBM50022740 2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL66864

SMILES: Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12

InChI Key: InChIKey=MVGRHDQQJXAAAZ-UHFFFAOYSA-N

Data: 1 KI  5 IC50

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50022740   
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


(Mus musculus (Mouse))
BDBM50022740
PNG
(2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,24,26,27,31)
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PC sid
UniChem
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>1.00E+3n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of dihydrofolate reductase (DHFR) isolated from L1210 cells


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50022740
PNG
(2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,24,26,27,31)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of dihydrofolate reductase (DHFR) from Lactobacillus casei


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair
GAR transformylase


(Mus musculus)
BDBM50022740
PNG
(2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,24,26,27,31)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL




J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair
GAR transformylase


(Mus musculus)
BDBM50022740
PNG
(2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,24,26,27,31)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase from mammalian Manca


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50022740
PNG
(2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,24,26,27,31)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of thymidylate synthase (TS) from Lactobacillus casei


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair
GAR transformylase


(Mus musculus)
BDBM50022740
PNG
(2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,24,26,27,31)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase from mammalian L1210 cells


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair