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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 = 'BDBM234252'   
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


(Homo sapiens (Human))
BDBM234252
PNG
(US9346821, B-23)
Show SMILES CC(C)[C@H](N(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C23H27FN4O7S/c1-11(2)19(21(31)27-15(22(32)33)9-18(29)30)28(3)10-13-5-7-17(36-13)23(34)35-16-6-4-12(20(25)26)8-14(16)24/h4-8,11,15,19H,9-10H2,1-3H3,(H3,25,26)(H,27,31)(H,29,30)(H,32,33)/t15-,19-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
0.440n/an/an/an/an/an/a8.0n/a



AJINOMOTO CO., INC.

US Patent


Assay Description
Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme su...


US Patent US9346821 (2016)


BindingDB Entry DOI: 10.7270/Q2RB73G2
More data for this
Ligand-Target Pair