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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50052424'   
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
Serine protease 1


(Bos taurus (bovine))		BDBM50052424
PNG
(2-{1-hydroxy-5-imino(4-methylphenylsulfonamido)met...)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)NS(=O)(=O)c1ccc(C)cc1)C(O)c1nc2ccccc2s1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C43H49N7O7S2/c1-29-21-23-32(24-22-29)59(55,56)48-42(44)45-25-11-18-34(38(51)40-47-33-17-9-10-20-37(33)58-40)46-39(52)35-19-12-26-50(35)41(53)36(27-30-13-5-3-6-14-30)49(2)43(54)57-28-31-15-7-4-8-16-31/h3-10,13-17,20-24,34-36,38,51H,11-12,18-19,25-28H2,1-2H3,(H,46,52)(H3,44,45,48)/t34-,35-,36+,38?/m1/s1
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KEGG

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PC cid
PC sid
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Similars
Article
PubMed
>1.50E+5n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine trypsin

J Med Chem 39: 3039-43 (1996)


Article DOI: 10.1021/jm9603274
BindingDB Entry DOI: 10.7270/Q24B3208
More data for this
Ligand-Target Pair