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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Monomerid = 50114441   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypsin-1


(Homo sapiens (Human))
BDBM50114441
PNG
(2-(6-Methoxy-naphthalen-2-yl)-5-methyl-2H-pyrazole...)
Show SMILES COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C28H24N4O4S/c1-18-15-26(32(31-18)23-13-9-21-17-24(36-2)14-10-20(21)16-23)28(33)30-22-11-7-19(8-12-22)25-5-3-4-6-27(25)37(29,34)35/h3-17H,1-2H3,(H,30,33)(H2,29,34,35)
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Similars

Article
PubMed
n/an/a>1.10E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against trypsin


Bioorg Med Chem Lett 12: 1651-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00239-1
BindingDB Entry DOI: 10.7270/Q2VT1RFZ
More data for this
Ligand-Target Pair