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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-1' and Ligand = 'BDBM50093061'   
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))		BDBM50093061
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C33H47N7O6S/c1-40(32(44)27(18-11-19-36-33(34)35)39-47(45,46)23-26-16-9-4-10-17-26)22-29(41)38-28(20-24-12-5-2-6-13-24)30(42)31(43)37-21-25-14-7-3-8-15-25/h3-4,7-10,14-17,24,27-28,39H,2,5-6,11-13,18-23H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t27-,28+/m1/s1
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Similars
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against Human trypsin

Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair