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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptase beta-2/delta/gamma' and Ligand = 'BDBM50101022'   
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 beta-2/delta/gamma


(Homo sapiens (Human))		BDBM50101022
PNG
(1-{4-[4-amino(imino)methylphenylcarbamoylmethyl]he...)
Show SMILES NC(=N)c1ccc(NC(=O)CC2CCN(CC2)C(=O)O[C@H]2CCC[C@H](CCC2)OC(=O)N2CCN(CC2)C(=O)NCCC2CCNCC2)cc1
Show InChI InChI=1S/C36H56N8O6/c37-33(38)28-7-9-29(10-8-28)41-32(45)25-27-14-19-43(20-15-27)35(47)49-30-3-1-5-31(6-2-4-30)50-36(48)44-23-21-42(22-24-44)34(46)40-18-13-26-11-16-39-17-12-26/h7-10,26-27,30-31,39H,1-6,11-25H2,(H3,37,38)(H,40,46)(H,41,45)/t30-,31+
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 8.90n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.

Bioorg Med Chem Lett 11: 1629-33 (2001)


BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair