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=GIXWDMTZECRIJT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 38 hits for monomerid = 60996
Affinity DataKi: 600nMAssay Description:Competitive inhibition of human CSE using varying levels of L-Cys as substrate and fixed PLP levelsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of ATG4B (unknown origin) using proLC3B as substrate by FRET-LC3 assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of Atg4B (unknown origin) using YFP-LC3B-EmGFP as substrate after 40 mins by FRET-based assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.80E+4nMAssay Description:Inhibition of human recombinant GST-tagged Atg4B expressed in Escherichia coli using LC3B-GST as substrate after 6 mins by SDS-PAGE assayMore data for this Ligand-Target Pair
TargetDNA polymerase iota(Homo sapiens (Human))
University Of Connecticut Health Center
Curated by ChEMBL
University Of Connecticut Health Center
Curated by ChEMBL
Affinity DataIC50: 75nMAssay Description:Inhibition of human recombinant DNA polymerase iota expressed in Baculovirus expression system using TAMRA/BHQ-2-labeled primer/template measured at ...More data for this Ligand-Target Pair
TargetDNA polymerase eta(Homo sapiens (Human))
University Of Connecticut Health Center
Curated by ChEMBL
University Of Connecticut Health Center
Curated by ChEMBL
Affinity DataIC50: 75nMAssay Description:Inhibition of human recombinant DNA polymerase eta expressed in Baculovirus expression system using TAMRA/BHQ-2-labeled primer/template measured at 2...More data for this Ligand-Target Pair
Affinity DataIC50: 5.30E+4nMAssay Description:Inhibition of cruzainMore data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:Inhibition of C9 binding to C5b678 in zymogen activated human serum assessed as suppression of human erythrocyte lysis after 1 hr by ELISAMore data for this Ligand-Target Pair
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Russian Academy Of Sciences
Curated by ChEMBL
Russian Academy Of Sciences
Curated by ChEMBL
Affinity DataIC50: 55nMAssay Description:Inhibition of APE1 (unknown origin)More data for this Ligand-Target Pair
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Homo sapiens (Human))
Russian Academy Of Sciences
Curated by ChEMBL
Russian Academy Of Sciences
Curated by ChEMBL
Affinity DataIC50: 55nMAssay Description:Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assayMore data for this Ligand-Target Pair
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School Of Medicine
Curated by ChEMBL
Indiana University School Of Medicine
Curated by ChEMBL
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School Of Medicine
Curated by ChEMBL
Indiana University School Of Medicine
Curated by ChEMBL
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
Affinity DataIC50: 900nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
Affinity DataIC50: 570nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
TargetTyrosyl-DNA phosphodiesterase 1(Homo sapiens (Human))
Russian Academy Of Sciences
Curated by ChEMBL
Russian Academy Of Sciences
Curated by ChEMBL
Affinity DataIC50: 12nMAssay Description:Inhibition of recombinant TDP1 (unknown origin) using 5'-32P-labeled N14Y DNA substrate incubated for 20 mins by PAGE analysisMore data for this Ligand-Target Pair
TargetTyrosyl-DNA phosphodiesterase 1(Homo sapiens (Human))
Russian Academy Of Sciences
Curated by ChEMBL
Russian Academy Of Sciences
Curated by ChEMBL
Affinity DataIC50: 22nMAssay Description:Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli Rosetta2(DE3) using 3'-FITC labeled 13-mer DNA as substrate by Gyrasol ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of ATG4B (unknown origin) using ProLC3B as substrate by LC/MS analysisMore data for this Ligand-Target Pair
TargetDNA repair protein RAD52 homolog(Homo sapiens)
Istituto Italiano Di Tecnologia
Curated by ChEMBL
Istituto Italiano Di Tecnologia
Curated by ChEMBL
Affinity DataIC50: <5.00E+3nMAssay Description:Inhibition of FAM-conjugated ssDNA binding to His-tagged wild type RAD52 (unknown origin) expressed in Rosetta2(DE3)/pLysS cells measured after 30 mi...More data for this Ligand-Target Pair
TargetCystathionine beta-synthase(Homo sapiens (Human))
Shanghai Jiao Tong University
Curated by ChEMBL
Shanghai Jiao Tong University
Curated by ChEMBL
Affinity DataIC50: >6.50E+5nMAssay Description:Inhibition of wild type human CBS expressed in HEK293T cells assessed as reduction in H2S contentsMore data for this Ligand-Target Pair
Affinity DataIC50: 2.45E+5nMAssay Description:Inhibition of human CSE R119K mutant expressed in HEK293T cells assessed as reduction in H2S contentsMore data for this Ligand-Target Pair
Affinity DataIC50: 2.83E+5nMAssay Description:Inhibition of human CSE Y114F mutant expressed in HEK293T cells assessed as reduction in H2S contentsMore data for this Ligand-Target Pair
Affinity DataIC50: 3.71E+5nMAssay Description:Inhibition of human CSE R119A mutant expressed in HEK293T cells assessed as reduction in H2S contentsMore data for this Ligand-Target Pair
Affinity DataIC50: 3.47E+4nMAssay Description:Inhibition of wild type human CSE expressed in HEK293T cells assessed as reduction in H2S contentsMore data for this Ligand-Target Pair
Affinity DataIC50: 4.32E+4nMAssay Description:Inhibition of CSE in mouse RAW264.7 cells assessed as reduction in endogenous H2S level by AzMC probe based fluorescence assayMore data for this Ligand-Target Pair
Affinity DataKd: 3.40E+3nMAssay Description:Binding affinity to human CSE by ITC analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of human CSE by methylene blue methodMore data for this Ligand-Target Pair
TargetCystathionine beta-synthase(Homo sapiens (Human))
Shanghai Jiao Tong University
Curated by ChEMBL
Shanghai Jiao Tong University
Curated by ChEMBL
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CBS (unknown origin) by AzMC based fluorescence assayMore data for this Ligand-Target Pair
TargetCystathionine beta-synthase(Homo sapiens (Human))
Shanghai Jiao Tong University
Curated by ChEMBL
Shanghai Jiao Tong University
Curated by ChEMBL
Affinity DataIC50: 5.42E+4nMAssay Description:Inhibition of human CBS by methylene blue methodMore data for this Ligand-Target Pair
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human CSE using H-Cys as the substrate by tandem well based HTS assayMore data for this Ligand-Target Pair
TargetCystathionine beta-synthase(Homo sapiens (Human))
Shanghai Jiao Tong University
Curated by ChEMBL
Shanghai Jiao Tong University
Curated by ChEMBL
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CBS (unknown origin) by methylene blue methodMore data for this Ligand-Target Pair
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of human CSE using H-Cys as the substrate by LC/MS/MS-based assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of human CSE using L-Cys as the substrate in presence of 0.01% Triton X-100 by tandem well based HTS assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of human CSE using L-Cys as the substrate in presence of 0.025% Triton X-100 by tandem well based HTS assayMore data for this Ligand-Target Pair
Affinity DataIC50: 600nMAssay Description:Inhibition of human CSE using L-Cys as the substrate by tandem well based HTS assayMore data for this Ligand-Target Pair
TargetInhibitor of nuclear factor kappa-B kinase subunit beta(Homo sapiens (Human))
Kangwon National University
Curated by ChEMBL
Kangwon National University
Curated by ChEMBL
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of IKKbeta (unknown origin) assessed as substrate phosphorylation using IkappaBalpha as substrate incubated for 1 hr in presence of ATP by...More data for this Ligand-Target Pair
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of cruzain in presence of 0.01% Triton X-100More data for this Ligand-Target Pair
Affinity DataIC50: 200nMAssay Description:Inhibition of human purified MPG pre-incubated with compound for 10 mins followed by addition of 1,N6 ethenoadenine containing 32P-labeled duplex oli...More data for this Ligand-Target Pair