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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 = 'BDBM50037979'   
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))		BDBM50037979
PNG
(CHEMBL539559 | {Benzyl-[(S)-3-[((S)-1-carbamimidoy...)
Show SMILES CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H40N6O6S/c1-2-44-30(40)22-38(20-23-9-4-3-5-10-23)31(41)28(18-29(39)35-19-24-11-8-16-37(21-24)32(33)34)36-45(42,43)27-15-14-25-12-6-7-13-26(25)17-27/h3-7,9-10,12-15,17,24,28,36H,2,8,11,16,18-22H2,1H3,(H3,33,34)(H,35,39)/t24-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 8.60E+3n/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