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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-1' and Ligand = 'BDBM109662'   
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-1


(Homo sapiens (human))
BDBM109662
PNG
(US8609715, A-70)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)NCP(O)(O)=O)cc1
Show InChI InChI=1S/C20H18N3O7P/c21-18(22)13-5-7-15(8-6-13)29-20(25)17-10-9-16(30-17)12-1-3-14(4-2-12)19(24)23-11-31(26,27)28/h1-10H,11H2,(H3,21,22)(H,23,24)(H2,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
0.300n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


Citation and Details
More data for this
Ligand-Target Pair