BDBM50217942 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside::3-Rhamnoglucosylquercetin::3-Rutinosyl quercetin::CHEMBL226335::cid_5280805::rutin

SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI Key InChIKey=HRFGZDXDXWODFE-NVPNHPEKSA-N

Data  43 KI  32 IC50  1 Kd  2 EC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50217942   

TargetTrypsin(Homo sapiens (Human))TBA
LigandPNGBDBM50217942(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...)
Affinity DataKi:  1.75E+4nMAssay Description:Non-competitive inhibition of trypsin (unknown origin) using BApNA as substrate by Lineweaver-Burk/Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails Article
TargetTrypsin(Homo sapiens (Human))TBA
LigandPNGBDBM50217942(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...)
Affinity DataIC50:  1.60E+4nMAssay Description:Inhibition of trypsin (unknown origin) using BApNA as substrate incubated for 15 min prior to substrate addition measured after 30 min by UV/VIS spec...More data for this Ligand-Target Pair
In DepthDetails Article