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BDBM50022738 2-{4-[2-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL69016

SMILES: Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12

InChI Key: InChIKey=VZPGIYJALNDTGL-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50022738   
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))
BDBM50022738
PNG
(2-{4-[2-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimid...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C22H24N6O5/c1-11-14(10-25-19-17(11)18(23)27-22(24)28-19)7-4-12-2-5-13(6-3-12)20(31)26-15(21(32)33)8-9-16(29)30/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,25,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0283n/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


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50022738
PNG
(2-{4-[2-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimid...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C22H24N6O5/c1-11-14(10-25-19-17(11)18(23)27-22(24)28-19)7-4-12-2-5-13(6-3-12)20(31)26-15(21(32)33)8-9-16(29)30/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,25,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50022738
PNG
(2-{4-[2-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimid...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C22H24N6O5/c1-11-14(10-25-19-17(11)18(23)27-22(24)28-19)7-4-12-2-5-13(6-3-12)20(31)26-15(21(32)33)8-9-16(29)30/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,25,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 23n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair