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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM17236'   
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


(Bos taurus (bovine))
BDBM17236
PNG
(2-(4-{[3-chloro-2-({4-chloro-2-[(4-chlorophenyl)ca...)
Show SMILES OC(=O)CN1CCN(Cc2ccc3c(Cl)c(sc3c2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H25Cl3N4O4S/c30-18-2-5-20(6-3-18)33-28(39)22-14-19(31)4-8-23(22)34-29(40)27-26(32)21-7-1-17(13-24(21)41-27)15-35-9-11-36(12-10-35)16-25(37)38/h1-8,13-14H,9-12,15-16H2,(H,33,39)(H,34,40)(H,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair