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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50404100'   
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


(Homo sapiens (Human))		BDBM50404100
PNG
(CHEMBL358135)
Show SMILES Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-5-4-7-17(22(28)26-15-11-9-14(24)10-12-15)20(13)27-23(29)21-19(25)16-6-2-3-8-18(16)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin

Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair