BindingDB logo
myBDB logout

null

SMILES: NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1

InChI Key: InChIKey=HXDKJHJAMFQXBA-HNNXBMFYSA-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 6 hits for monomerid = 158074   
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))
BDBM158074
PNG
(US9024044, 2 | US9227949, 2 | US9655879, 2)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r|
Show InChI InChI=1S/C23H24FN3O7S/c24-14-9-12(19(25)26)3-5-16(14)34-21(32)17-6-4-13(35-17)11-23(7-1-2-8-23)22(33)27-15(20(30)31)10-18(28)29/h3-6,9,15H,1-2,7-8,10-11H2,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.730n/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))
BDBM158074
PNG
(US9024044, 2 | US9227949, 2 | US9655879, 2)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r|
Show InChI InChI=1S/C23H24FN3O7S/c24-14-9-12(19(25)26)3-5-16(14)34-21(32)17-6-4-13(35-17)11-23(7-1-2-8-23)22(33)27-15(20(30)31)10-18(28)29/h3-6,9,15H,1-2,7-8,10-11H2,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.730n/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))
BDBM158074
PNG
(US9024044, 2 | US9227949, 2 | US9655879, 2)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r|
Show InChI InChI=1S/C23H24FN3O7S/c24-14-9-12(19(25)26)3-5-16(14)34-21(32)17-6-4-13(35-17)11-23(7-1-2-8-23)22(33)27-15(20(30)31)10-18(28)29/h3-6,9,15H,1-2,7-8,10-11H2,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
0.730n/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) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 ...


US Patent US9655879 (2017)


BindingDB Entry DOI: 10.7270/Q22Z17KS
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM158074
PNG
(US9024044, 2 | US9227949, 2 | US9655879, 2)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r|
Show InChI InChI=1S/C23H24FN3O7S/c24-14-9-12(19(25)26)3-5-16(14)34-21(32)17-6-4-13(35-17)11-23(7-1-2-8-23)22(33)27-15(20(30)31)10-18(28)29/h3-6,9,15H,1-2,7-8,10-11H2,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
4.10n/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))
BDBM158074
PNG
(US9024044, 2 | US9227949, 2 | US9655879, 2)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r|
Show InChI InChI=1S/C23H24FN3O7S/c24-14-9-12(19(25)26)3-5-16(14)34-21(32)17-6-4-13(35-17)11-23(7-1-2-8-23)22(33)27-15(20(30)31)10-18(28)29/h3-6,9,15H,1-2,7-8,10-11H2,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
4.10n/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)


BindingDB Entry DOI: 10.7270/Q22Z17KS
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM158074
PNG
(US9024044, 2 | US9227949, 2 | US9655879, 2)
Show SMILES NC(=N)c1ccc(OC(=O)c2ccc(CC3(CCCC3)C(=O)N[C@@H](CC(O)=O)C(O)=O)s2)c(F)c1 |r|
Show InChI InChI=1S/C23H24FN3O7S/c24-14-9-12(19(25)26)3-5-16(14)34-21(32)17-6-4-13(35-17)11-23(7-1-2-8-23)22(33)27-15(20(30)31)10-18(28)29/h3-6,9,15H,1-2,7-8,10-11H2,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
4.10n/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