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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptase delta' and Ligand = 'BDBM50217817'   
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
Tryptase delta


(Homo sapiens (Human))		BDBM50217817
PNG
(CHEMBL326209)
Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)C(=O)CCCCCc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C25H36N6O5/c26-24(27)28-13-7-11-19-21(23(34)35)31(22(19)33)25(36)30-16-14-29(15-17-30)20(32)12-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,8-9,19,21H,2,5-7,10-17H2,(H,34,35)(H4,26,27,28)/t19-,21+/m1/s1
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PubMed
n/an/a<1.70n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human tryptase

Bioorg Med Chem Lett 12: 3235-8 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9DZP
More data for this
Ligand-Target Pair