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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM158093'   
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))
BDBM158093
PNG
(US9024044, 21 | US9227949, 21)
Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N(C)CC(O)=O
Show InChI InChI=1S/C22H26FN3O5S/c1-4-22(5-2,21(30)26(3)12-18(27)28)11-14-7-9-17(32-14)20(29)31-16-8-6-13(19(24)25)10-15(16)23/h6-10H,4-5,11-12H2,1-3H3,(H3,24,25)(H,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.76n/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 uL) was mixed with 20 uM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 uL) mixed ...


US Patent US9227949 (2016)


BindingDB Entry DOI: 10.7270/Q2959GBT
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM158093
PNG
(US9024044, 21 | US9227949, 21)
Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N(C)CC(O)=O
Show InChI InChI=1S/C22H26FN3O5S/c1-4-22(5-2,21(30)26(3)12-18(27)28)11-14-7-9-17(32-14)20(29)31-16-8-6-13(19(24)25)10-15(16)23/h6-10H,4-5,11-12H2,1-3H3,(H3,24,25)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.76n/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) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...


US Patent US9024044 (2015)


BindingDB Entry DOI: 10.7270/Q2F47MVB
More data for this
Ligand-Target Pair