BDBM23416 α-CA inhibitor, 3::(+)-Catechin::(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol::CHEMBL311498::Catechin::D-Catechin

SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1

InChI Key InChIKey=PFTAWBLQPZVEMU-DZGCQCFKSA-N

Data  18 KI  14 IC50  2 Kd  1 Other

PDB links: 3 PDB IDs match this monomer.

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 35 hits for monomerid = 23416   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  450nMAssay Description:Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetArginase(Leishmania amazonensis)
Universidade Federal de S£o Carlos

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  600nMAssay Description:Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substr...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  1.84E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Bos taurus (Cattle))
Ondokuz Mayis University

LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  2.20E+3nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  2.42E+3nMAssay Description:Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  3.58E+3nMAssay Description:Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  4.02E+3nMAssay Description:Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  4.21E+3nMAssay Description:Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  4.72E+3nMAssay Description:Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  4.90E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  4.91E+3nMAssay Description:Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  5.03E+3nMAssay Description:Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  5.60E+3nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  6.80E+3nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 15(Mus musculus)
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  7.68E+3nMAssay Description:Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Bos taurus (Cattle))
Ondokuz Mayis University

LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  9.71E+3nMpH: 7.4Assay Description: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 spect...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  1.05E+4nMAssay Description:Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKi:  1.16E+4nMAssay Description:Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetPancreatic triacylglycerol lipase(Sus scrofa (Pig))
Daegu University

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 3.41E+5nMAssay Description:Inhibition of porcine pancreatic lipase using pNPB as substrate measured after 30 mins using plasma treated sampleMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£o Paulo

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£o Paulo

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 9.83E+4nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
TargetPancreatic triacylglycerol lipase(Sus scrofa (Pig))
Daegu University

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of porcine pancreatic lipase using pNPB as substrate measured after 30 minsMore data for this Ligand-Target Pair
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
Kyoto Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of aldose reductase in rat lens homogenateMore data for this Ligand-Target Pair
TargetArginase(Leishmania amazonensis)
Universidade Federal de S£o Carlos

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...More data for this Ligand-Target Pair
TargetSucrase-isomaltase, intestinal(Rattus norvegicus (Rat))
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 3.10E+5nMAssay Description:Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measu...More data for this Ligand-Target Pair
TargetADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1(Homo sapiens (Human))
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric methodMore data for this Ligand-Target Pair
TargetDeath-associated protein kinase 1(Homo sapiens (Human))
University of Toyama

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 3.00E+5nMAssay Description:Displacement of ANS from DAPK1 catalytic domain (1 to 285) (unknown origin) after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Bos taurus)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of bovine seminal vesicle microsomal COX1-mediated prostaglandin productionMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University of Pennsylvania School of Medicine

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKd:  4.07E+4nMAssay Description:Binding affinity to COX1 in sheep seminal vesicleMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University of Pennsylvania School of Medicine

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 2.02E+4nMAssay Description:Inhibition of cyclooxygenase activity of COX1 in sheep seminal vesicle in presence of 1 mM phenol by cyclooxygenase assayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University of Pennsylvania School of Medicine

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of peroxidase activity of COX1 in heep seminal vesicle by TMPD assayMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
University of Lodz

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 1.25E+5nMAssay Description:Inhibition of human thrombin amidolytic activity using D-Phe-Pip-Arg-pNA as substrate preincubated for 10 mins followed by substrate addition measure...More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
University of Lodz

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataKd:  4.90nMAssay Description:Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysisMore data for this Ligand-Target Pair
TargetAlpha-amylase 1A(Homo sapiens (Human))
Nestle Research Center

LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DatapH: 6.0 T: 2°CAssay Description:The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...More data for this Ligand-Target Pair
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
University of Antwerp

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometryMore data for this Ligand-Target Pair