BDBM26188 α-CA inhibitor, 12::1,2-Dihydroxybenzene, XI::1,2-dihydroxybenzene::CHEMBL280998::benzene-1,2-diol::phenol derivative, 2

SMILES Oc1ccccc1O

InChI Key InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N

Data  50 KI  6 IC50  1 ITC

PDB links: 26 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 26188   

TargetGlutaminyl-peptide cyclotransferase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of recombinant human QC using H-Gln-AMC hydrobromide as fluorogenic substrate incubated for 6 hrs by fluorometric microplate reader analys...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCarbonic anhydrase 3(Bos taurus (Cattle))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Affinity DataIC50:  5.79E+3nMpH: 7.4Assay Description:The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Johns Hopkins University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Affinity DataIC50:  3.30E+4nMAssay Description:Inhibition of full length PI3Kalpha (unknown origin) assessed as reduction in PIP3 formation using PIP2 as substrate after 45 mins by fluorescence po...More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of biotin-labelled p53 binding to MDM2 (25 to 109 residues) (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetArginase-1(Bos taurus)
Univ. Bourgogne Franche-Comt�

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Affinity DataIC50:  1.23E+5nMAssay Description:Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAutoinducer 2-binding periplasmic protein LuxP(Vibrio harveyi)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Affinity DataIC50:  5.90E+4nMAssay Description:Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 26188   

HostPNGBDBM36284(BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8...)
University Of Cambridge

GuestPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
ITC DataΔG°: -5.48kcal/mole logk: 1.00E+4
pH: 7.0 T: 25.00°C