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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50158161'   
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))		BDBM50158161
PNG
(CHEMBL3781405)
Show SMILES NC(=N)c1cccc(c1)N1CC(CNC(=O)c2ccccc2)CN(CC2CCN(Cc3ccccc3)CC2)C1=O
Show InChI InChI=1S/C32H38N6O2/c33-30(34)28-12-7-13-29(18-28)38-23-26(19-35-31(39)27-10-5-2-6-11-27)22-37(32(38)40)21-25-14-16-36(17-15-25)20-24-8-3-1-4-9-24/h1-13,18,25-26H,14-17,19-23H2,(H3,33,34)(H,35,39)
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 330n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis

ACS Med Chem Lett 7: 177-81 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00357
BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair