BindingDB logo
myBDB logout

BDBM22578 2-[(E)-2-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazen-1-yl]-4-sulfobenzoic acid::2-{(E)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid::326203-A

SMILES: Cc1[nH]n(-c2ccc(cc2C)S(O)(=O)=O)c(=O)c1N=Nc1cc(ccc1C(O)=O)S(O)(=O)=O

InChI Key: InChIKey=CKYHLFDDWMUMHB-FMQUCBEESA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 22578   
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 Tfase


(Homo sapiens (Human))
BDBM22578
PNG
(2-[(E)-2-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfoph...)
Show SMILES Cc1[nH]n(-c2ccc(cc2C)S(O)(=O)=O)c(=O)c1N=Nc1cc(ccc1C(O)=O)S(O)(=O)=O
Show InChI InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,21H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
7.10E+3 -6.95 1.16E+4n/an/an/an/a7.522



The Scripps Research Institute



Assay Description
The human ATIC enzyme was used for the inhibition assay. The assay buffer was flushed with nitrogen to minimize oxidization of cofactor 10-f-THF. The...


J Biol Chem 279: 50555-65 (2004)


Article DOI: 10.1074/jbc.M406801200
BindingDB Entry DOI: 10.7270/Q2MC8X97
More data for this
Ligand-Target Pair