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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 = 'BDBM50037978'   
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))		BDBM50037978
PNG
(CHEMBL543893 | {[(S)-3-[((S)-1-Carbamimidoyl-piper...)
Show SMILES CCOC(=O)CN(C)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H36N6O6S/c1-3-38-24(34)17-31(2)25(35)22(14-23(33)29-15-18-7-6-12-32(16-18)26(27)28)30-39(36,37)21-11-10-19-8-4-5-9-20(19)13-21/h4-5,8-11,13,18,22,30H,3,6-7,12,14-17H2,1-2H3,(H3,27,28)(H,29,33)/t18-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.30E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity by measuring the inhibition of bovine trypsin

J Med Chem 37: 3889-901 (1994)


BindingDB Entry DOI: 10.7270/Q25X29KK
More data for this
Ligand-Target Pair