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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50452162'   
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
Serine protease 1


(Bos taurus (bovine))		BDBM50452162
PNG
(CHEMBL4212172)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N4)NC(=O)[C@@H](NC(=O)NNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC3=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N2)[C@@H](C)O)[C@@H](C)O |r|
Show InChI InChI=1S/C14H19N/c1-11(2)7-9-15-10-8-13-6-4-5-12(3)14(13)15/h4-6,8,10-11H,7,9H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0200n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of bovine beta-trypsin incubated for 5 mins using BAPNA as substrate by colorimetric assay

Bioorg Med Chem Lett 27: 5089-5099 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.051
BindingDB Entry DOI: 10.7270/Q2NK3HMS
More data for this
Ligand-Target Pair