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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptase delta' and Ligand = 'BDBM50217815'   
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))		BDBM50217815
PNG
(CHEMBL113591)
Show SMILES CN(CCCCc1ccccc1)C(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCCN(C2)C(N)=N)C1=O)C(O)=O
Show InChI InChI=1S/C28H41N7O5/c1-31(12-6-5-10-20-8-3-2-4-9-20)27(39)32-14-16-33(17-15-32)28(40)35-23(25(37)38)22(24(35)36)18-21-11-7-13-34(19-21)26(29)30/h2-4,8-9,21-23H,5-7,10-19H2,1H3,(H3,29,30)(H,37,38)/t21?,22-,23+/m1/s1
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PubMed
n/an/a 6n/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