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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Monomerid = 50079259   
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))
BDBM50079259
PNG
(3-(3-Carbamimidoyl-phenyl)-4,5-dihydro-isoxazole-5...)
Show SMILES NC(=N)c1cccc(c1)C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C23H21N5O4S/c24-22(25)16-5-3-4-15(12-16)19-13-20(32-28-19)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-21(18)33(26,30)31/h1-12,20H,13H2,(H3,24,25)(H,27,29)(H2,26,30,31)
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MMDB

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PC cid
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Similars

Article
PubMed
83n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards trypsin obtained from human purified enzymes


J Med Chem 42: 2760-73 (1999)


Article DOI: 10.1021/jm980406a
BindingDB Entry DOI: 10.7270/Q28W3CHG
More data for this
Ligand-Target Pair