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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Trypsin-1' and Ligand = 'BDBM158146'   
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
Trypsin-1


(Homo sapiens (human))
BDBM158146
PNG
(US9024044, 74 | US9227949, 74 | US9655879, 74)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C24H21FN3O6S/c1-24(2,23(33)28-14-7-13(21(30)31)8-15(29)10-14)11-16-4-6-19(35-16)22(32)34-18-5-3-12(20(26)27)9-17(18)25/h3-10H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)
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Similars

US Patent
0.180n/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
Trypsin-1


(Homo sapiens (human))
BDBM158146
PNG
(US9024044, 74 | US9227949, 74 | US9655879, 74)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C24H21FN3O6S/c1-24(2,23(33)28-14-7-13(21(30)31)8-15(29)10-14)11-16-4-6-19(35-16)22(32)34-18-5-3-12(20(26)27)9-17(18)25/h3-10H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)
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PC sid
UniChem

Similars

US Patent
0.180n/an/an/an/an/an/an/an/a



EA Pharma Co., Ltd.

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 US9655879 (2017)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM158146
PNG
(US9024044, 74 | US9227949, 74 | US9655879, 74)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C24H21FN3O6S/c1-24(2,23(33)28-14-7-13(21(30)31)8-15(29)10-14)11-16-4-6-19(35-16)22(32)34-18-5-3-12(20(26)27)9-17(18)25/h3-10H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.180n/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