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BDBM50014844 2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-propyl]-methyl-amino}-benzoylamino)-pentanedioic acid::CHEMBL153550

SMILES: CN(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O

InChI Key: InChIKey=FSMSLEVHAQLDLW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50014844   
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
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50014844
PNG
(2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...)
Show SMILES CN(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H26N6O6/c1-26(10-2-3-13-16(21)24-20(22)25-18(13)30)12-6-4-11(5-7-12)17(29)23-14(19(31)32)8-9-15(27)28/h4-7,14H,2-3,8-10H2,1H3,(H,23,29)(H,27,28)(H,31,32)(H5,21,22,24,25,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against Glycinamide ribonucleotide transformylase(GAR-TFase) from L cell


J Med Chem 33: 561-7 (1990)


Article DOI: 10.1021/jm00164a014
BindingDB Entry DOI: 10.7270/Q2XW4HS0
More data for this
Ligand-Target Pair
AICAR transformylase


(Mus musculus)
BDBM50014844
PNG
(2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...)
Show SMILES CN(CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H26N6O6/c1-26(10-2-3-13-16(21)24-20(22)25-18(13)30)12-6-4-11(5-7-12)17(29)23-14(19(31)32)8-9-15(27)28/h4-7,14H,2-3,8-10H2,1H3,(H,23,29)(H,27,28)(H,31,32)(H5,21,22,24,25,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against AICAR formyltransferase from hog liver


J Med Chem 33: 561-7 (1990)


Article DOI: 10.1021/jm00164a014
BindingDB Entry DOI: 10.7270/Q2XW4HS0
More data for this
Ligand-Target Pair