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BDBM50089572 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-(4-fluoro-3-nitro-benzyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL286459

SMILES: Nc1nc2ccc(CN(Cc3ccc(F)c(c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key: InChIKey=TVBDWUYEYZPCMH-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50089572   
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
AICAR transformylase


(Homo sapiens (Human))
BDBM50089572
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES Nc1nc2ccc(CN(Cc3ccc(F)c(c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C28H25FN6O8/c29-20-7-1-16(12-23(20)35(42)43)14-34(13-15-2-8-21-19(11-15)26(39)33-28(30)32-21)18-5-3-17(4-6-18)25(38)31-22(27(40)41)9-10-24(36)37/h1-8,11-12,22H,9-10,13-14H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Aminoimidazole carboxamide ribonucleotide transformylase


Bioorg Med Chem Lett 10: 1471-5 (2000)


BindingDB Entry DOI: 10.7270/Q2GM86HD
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50089572
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylme...)
Show SMILES Nc1nc2ccc(CN(Cc3ccc(F)c(c3)[N+]([O-])=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C28H25FN6O8/c29-20-7-1-16(12-23(20)35(42)43)14-34(13-15-2-8-21-19(11-15)26(39)33-28(30)32-21)18-5-3-17(4-6-18)25(38)31-22(27(40)41)9-10-24(36)37/h1-8,11-12,22H,9-10,13-14H2,(H,31,38)(H,36,37)(H,40,41)(H3,30,32,33,39)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Glycinamide ribonucleotide transformylase (GAR Tfase)


Bioorg Med Chem Lett 10: 1471-5 (2000)


BindingDB Entry DOI: 10.7270/Q2GM86HD
More data for this
Ligand-Target Pair