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BDBM158134 US9024044, 62::US9227949, 62

SMILES: CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCCCCC(O)=O

InChI Key: InChIKey=JBHHRVQRHSBNTN-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 158134   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Enteropeptidase


(Homo sapiens (Human))
BDBM158134
PNG
(US9024044, 62 | US9227949, 62)
Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C24H30FN3O5S/c1-3-24(4-2,23(32)28-12-6-5-7-20(29)30)14-16-9-11-19(34-16)22(31)33-18-10-8-15(21(26)27)13-17(18)25/h8-11,13H,3-7,12,14H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.980n/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 US9024044 (2015)


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


(Homo sapiens (Human))
BDBM158134
PNG
(US9024044, 62 | US9227949, 62)
Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C24H30FN3O5S/c1-3-24(4-2,23(32)28-12-6-5-7-20(29)30)14-16-9-11-19(34-16)22(31)33-18-10-8-15(21(26)27)13-17(18)25/h8-11,13H,3-7,12,14H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.980n/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), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (...


US Patent US9227949 (2016)


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


(Homo sapiens (Human))
BDBM158134
PNG
(US9024044, 62 | US9227949, 62)
Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C24H30FN3O5S/c1-3-24(4-2,23(32)28-12-6-5-7-20(29)30)14-16-9-11-19(34-16)22(31)33-18-10-8-15(21(26)27)13-17(18)25/h8-11,13H,3-7,12,14H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
5.17n/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
Trypsin-1


(Homo sapiens (Human))
BDBM158134
PNG
(US9024044, 62 | US9227949, 62)
Show SMILES CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C24H30FN3O5S/c1-3-24(4-2,23(32)28-12-6-5-7-20(29)30)14-16-9-11-19(34-16)22(31)33-18-10-8-15(21(26)27)13-17(18)25/h8-11,13H,3-7,12,14H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
5.17n/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