BDBM4375 (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid::(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid (9)::3,4-Dihydroxycinnamate, XVII::CHEMBL145::Caffeic acid::Caffeic acid, 1::cid_689043

SMILES OC(=O)\C=C\c1ccc(O)c(O)c1

InChI Key InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-N

Data  21 KI  56 IC50  2 EC50

PDB links: 14 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 4375   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  1.61E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  2.38E+3nMAssay Description:Inhibition of human CA1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  6.42E+3nMAssay Description:Inhibition of human CA7 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  6.49E+3nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  7.33E+3nMAssay Description:Inhibition of human CA6 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  7.87E+3nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  8.71E+3nMAssay Description:Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  8.71E+3nMAssay Description:Inhibition of human CA14 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  9.06E+3nMAssay Description:Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  9.06E+3nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  9.08E+3nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  1.01E+4nMAssay Description:Inhibition of human CA4 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  1.09E+4nMAssay Description:Inhibition of mouse CA13 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universit£

Curated by ChEMBL
LigandPNGBDBM4375((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Affinity DataKi:  1.09E+4nMAssay Description:Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed