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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'AICAR transformylase' and Ligand = 'BDBM50014843'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
AICAR transformylase


(Mus musculus)
BDBM50014843
PNG
(2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...)
Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.80E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition activity against AICAR formyltransferase determined against 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)
BDBM50014843
PNG
(2-(4-{[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-...)
Show SMILES Nc1nc(N)c(CCCN(C=O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C20H24N6O7/c21-16-13(18(31)25-20(22)24-16)2-1-9-26(10-27)12-5-3-11(4-6-12)17(30)23-14(19(32)33)7-8-15(28)29/h3-6,10,14H,1-2,7-9H2,(H,23,30)(H,28,29)(H,32,33)(H5,21,22,24,25,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.74E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against 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