BDBM22582 324572-F::4-{3-methyl-4-[(E)-2-[3-methyl-4-(phenylsulfamoyl)phenyl]diazen-1-yl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid::CHEMBL222602
SMILES: Cc1[nH]n(-c2ccc(cc2)S(O)(=O)=O)c(=O)c1N=Nc1ccc(c(C)c1)S(=O)(=O)Nc1ccccc1
InChI Key: InChIKey=XMCBGWZMOXWHLW-UHFFFAOYSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AICAR transformylase (Homo sapiens (Human)) | BDBM22582 (324572-F | 4-{3-methyl-4-[(E)-2-[3-methyl-4-(pheny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of human AICAR Tfase | J Med Chem 47: 6681-90 (2004) Article DOI: 10.1021/jm049504o BindingDB Entry DOI: 10.7270/Q2PZ589Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AICAR Tfase (Homo sapiens (Human)) | BDBM22582 (324572-F | 4-{3-methyl-4-[(E)-2-[3-methyl-4-(pheny...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | 7.5 | 22 |
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 |