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SMILES: CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(O)c(c1)C(O)=O

InChI Key: InChIKey=SLSLVLFFHMCGMN-UHFFFAOYSA-N

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 = 158119   
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))
BDBM158119
PNG
(US9024044, 47 | US9227949, 47)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C24H22FN3O6S/c1-24(2,23(33)28-13-4-6-17(29)15(10-13)21(30)31)11-14-5-8-19(35-14)22(32)34-18-7-3-12(20(26)27)9-16(18)25/h3-10,29H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.530n/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
Enteropeptidase


(Homo sapiens (Human))
BDBM158119
PNG
(US9024044, 47 | US9227949, 47)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C24H22FN3O6S/c1-24(2,23(33)28-13-4-6-17(29)15(10-13)21(30)31)11-14-5-8-19(35-14)22(32)34-18-7-3-12(20(26)27)9-16(18)25/h3-10,29H,11H2,1-2H3,(H3,26,27)(H,28,33)(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.530n/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
Serine protease 1


(Homo sapiens (Human))
BDBM158119
PNG
(US9024044, 47 | US9227949, 47)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C24H22FN3O6S/c1-24(2,23(33)28-13-4-6-17(29)15(10-13)21(30)31)11-14-5-8-19(35-14)22(32)34-18-7-3-12(20(26)27)9-16(18)25/h3-10,29H,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
0.920n/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))
BDBM158119
PNG
(US9024044, 47 | US9227949, 47)
Show SMILES CC(C)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C24H22FN3O6S/c1-24(2,23(33)28-13-4-6-17(29)15(10-13)21(30)31)11-14-5-8-19(35-14)22(32)34-18-7-3-12(20(26)27)9-16(18)25/h3-10,29H,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
0.920n/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