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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50147088'   
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


(Sus scrofa)
BDBM50147088
PNG
(6-Carbamimidoyl-4-furan-3-yl-naphthalene-2-carboxy...)
Show SMILES NC(=N)c1ccc2cc(cc(-c3ccoc3)c2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H17N3O2/c23-21(24)15-7-6-14-10-17(22(26)25-18-4-2-1-3-5-18)12-20(19(14)11-15)16-8-9-27-13-16/h1-13H,(H3,23,24)(H,25,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity value against trypsin


Bioorg Med Chem Lett 15: 93-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.026
BindingDB Entry DOI: 10.7270/Q2R210W5
More data for this
Ligand-Target Pair