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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin II' and Ligand = 'BDBM50080498'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypsin II


(Bos taurus)
BDBM50080498
PNG
(3-{(S)-3-[(7-Methoxy-naphthalene-2-sulfonyl)-thiop...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccsc1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C28H28N4O4S2/c1-36-24-7-5-21-6-8-25(15-23(21)14-24)38(34,35)32(17-20-10-12-37-18-20)26-9-11-31(28(26)33)16-19-3-2-4-22(13-19)27(29)30/h2-8,10,12-15,18,26H,9,11,16-17H2,1H3,(H3,29,30)/t26-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine pancreatic trypsin


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair