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BDBM60996 5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid::5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxybenzoic acid::5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid::5-[(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid::Aurintricarboxylic acid::MLS002153482::SMR000326731::cid_2259

SMILES: [#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O

InChI Key: InChIKey=VWTPGUPXPKYBNL-UHFFFAOYSA-N

Data: 1 KI  38 IC50  1 Kd

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 40 hits for monomerid = 60996   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cysteine protease ATG4B


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 5.42E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 1.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 3.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 1.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 1.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 5.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD52 homolog


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a<5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(SARS-CoV)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase eta


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 75n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 2.80E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 5.30E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase iota


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 75n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA polymerase eta


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 75n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 3.80E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 55n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Complement component C9


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Thiosulfate sulfurtransferase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
60 kDa heat shock protein, mitochondrial


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Chaperonin GroEL


(Escherichia coli)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a>2.50E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Co-chaperonin GroES


(Escherichia coli)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 570n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 55n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a>6.50E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 2.45E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 2.83E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 3.71E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 3.47E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Mouse)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 4.32E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/an/a 3.40E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
n/an/a 2.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Human)
BDBM60996
PNG
(MLS002153482 | Aurintricarboxylic acid | 5-[(3-car...)
GoogleScholar
UniChem
600n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair