BDBM50414250 CHEMBL457077

SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1

InChI Key InChIKey=YMGFTDKNIWPMGF-UHFFFAOYSA-N

Data  6 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50414250   

TargetProto-oncogene tyrosine-protein kinase Src(Human)
Max Planck Institute of Biochemistry

Curated by ChEMBL
LigandPNGBDBM50414250(CHEMBL457077)
Affinity DataIC50: 3.62E+4nMAssay Description:Inhibition of c-SRC SH2 domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetTyrosine-protein kinase Lck(Human)
Max Planck Institute of Biochemistry

Curated by ChEMBL
LigandPNGBDBM50414250(CHEMBL457077)
Affinity DataIC50: 2.35E+4nMAssay Description:Inhibition of LCK SH2 domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50414250(CHEMBL457077)
Affinity DataKi:  40nM ΔG°:  -10.1kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50414250(CHEMBL457077)
Affinity DataKi:  67nM ΔG°:  -9.78kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50414250(CHEMBL457077)
Affinity DataKi:  71nM ΔG°:  -9.75kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50414250(CHEMBL457077)
Affinity DataKi:  9.59E+3nM ΔG°:  -6.84kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50414250(CHEMBL457077)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/moleT: 2°CAssay Description:Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2016
Entry Details Article
PubMed
TargetP2Y purinoceptor 1(Human)
Al-Ahliyya Amman University

Curated by ChEMBL
LigandPNGBDBM50414250(CHEMBL457077)
Affinity DataKi:  2.03E+4nMAssay Description:Displacement of [3H]2MeSADP from human P2Y1 expressed in U2OS cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed