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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50035154'   
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))		BDBM50035154
PNG
(CHEMBL3354240)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(Br)cc1C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C27H32BrClN4O9/c1-12(2)33-7-5-13(6-8-33)24(37)32-19-16(25(38)31-18-4-3-15(29)11-30-18)9-14(28)10-17(19)41-27-22(36)20(34)21(35)23(42-27)26(39)40/h3-4,9-13,20-23,27,34-36H,5-8H2,1-2H3,(H,32,37)(H,39,40)(H,30,31,38)/t20-,21-,22+,23-,27+/m0/s1
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Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified trypsin (unknown origin) using chromogenic substrate S-2222 by spectrophotometry

Bioorg Med Chem 22: 6324-32 (2014)


Article DOI: 10.1016/j.bmc.2014.09.059
BindingDB Entry DOI: 10.7270/Q23X888S
More data for this
Ligand-Target Pair