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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50088960'   
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))
BDBM50088960
PNG
(7-{6-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-benzoim...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2ncn(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
Show InChI InChI=1S/C26H28N6O/c1-17(27)31-10-8-22(9-11-31)33-23-6-7-24-25(14-23)32(16-30-24)15-18-2-3-19-4-5-20(26(28)29)13-21(19)12-18/h2-7,12-14,16,22,27H,8-11,15H2,1H3,(H3,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine cationic trypsin


Bioorg Med Chem Lett 10: 963-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00139-6
BindingDB Entry DOI: 10.7270/Q2GQ6X0N
More data for this
Ligand-Target Pair