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  2 EC50  1 Other

PDB links: 3 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 2 hits for monomerid = 23416   

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-...)
Affinity DataKd:  4.07E+4nMAssay Description:Binding affinity to COX1 in sheep seminal vesicleMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of Lodz

Curated by ChEMBL
LigandPNGBDBM23416(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Affinity DataKd:  4.92E+4nMAssay Description:Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed