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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50088947'   
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))
BDBM50088947
PNG
(7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-isopr...)
Show SMILES CC(C)c1nc2cc(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C29H34N6O/c1-18(2)29-33-26-16-25(36-24-10-12-34(13-11-24)19(3)30)8-9-27(26)35(29)17-20-4-5-21-6-7-22(28(31)32)15-23(21)14-20/h4-9,14-16,18,24,30H,10-13,17H2,1-3H3,(H3,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
16n/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