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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 = 'BDBM50037977'   
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))		BDBM50037977
PNG
((R)-N-(1-Carbamimidoyl-piperidin-3-ylmethyl)-2-(na...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NCC2CCCN(C2)C(N)=N)cc1
Show InChI InChI=1S/C33H38N6O5S2/c1-23-8-15-29(16-9-23)45(41,42)37-28-13-10-24(11-14-28)19-31(32(40)36-21-25-5-4-18-39(22-25)33(34)35)38-46(43,44)30-17-12-26-6-2-3-7-27(26)20-30/h2-3,6-17,20,25,31,37-38H,4-5,18-19,21-22H2,1H3,(H3,34,35)(H,36,40)/t25?,31-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 3.20E+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