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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 = 'BDBM158128'   
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))
BDBM158128
PNG
(US9024044, 56 | US9227949, 56)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NC1(CCC1)C(O)=O
Show InChI InChI=1S/C22H24FN3O5S/c1-21(2,19(28)26-22(20(29)30)8-3-9-22)11-13-5-7-16(32-13)18(27)31-15-6-4-12(17(24)25)10-14(15)23/h4-7,10H,3,8-9,11H2,1-2H3,(H3,24,25)(H,26,28)(H,29,30)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
1.49n/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))
BDBM158128
PNG
(US9024044, 56 | US9227949, 56)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NC1(CCC1)C(O)=O
Show InChI InChI=1S/C22H24FN3O5S/c1-21(2,19(28)26-22(20(29)30)8-3-9-22)11-13-5-7-16(32-13)18(27)31-15-6-4-12(17(24)25)10-14(15)23/h4-7,10H,3,8-9,11H2,1-2H3,(H3,24,25)(H,26,28)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.49n/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