Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptase beta-2' and Ligand = 'BDBM14308'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tryptase beta-2 (Homo sapiens (Human))	BDBM14308 ((2S)-N-[3-(2-amino-1H-1,3-benzodiazol-5-yl)-1-(1,3...) Show SMILES Nc1nc2ccc(CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc3ccccc3)C(=O)c3nc4ccccc4s3)cc2[nH]1 |r| Show InChI InChI=1S/C42H39N7O5S2/c43-42-47-31-21-20-30(24-33(31)48-42)25-34(38(50)41-46-32-18-10-11-19-37(32)55-41)44-39(51)35(22-27-12-4-1-5-13-27)45-40(52)36(23-28-14-6-2-7-15-28)49-56(53,54)26-29-16-8-3-9-17-29/h1-21,24,34-36,49H,22-23,25-26H2,(H,44,51)(H,45,52)(H3,43,47,48)/t34?,35-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	-26.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				Biochemistry 45: 5964-73 (2006) Article DOI: 10.1021/bi060173m BindingDB Entry DOI: 10.7270/Q2W09450
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