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SMILES: Cc1cc(sc1CCC(=O)N[C@@H](CC(O)=O)C(O)=O)C(=O)Oc1ccc(cc1F)C(N)=N

InChI Key: InChIKey=KUFWXCZSAUGMIW-LBPRGKRZSA-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 2 hits for monomerid = 109704   
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))
BDBM109704
PNG
(US8609715, B-61)
Show SMILES Cc1cc(sc1CCC(=O)N[C@@H](CC(O)=O)C(O)=O)C(=O)Oc1ccc(cc1F)C(N)=N |r|
Show InChI InChI=1S/C20H20FN3O7S/c1-9-6-15(20(30)31-13-3-2-10(18(22)23)7-11(13)21)32-14(9)4-5-16(25)24-12(19(28)29)8-17(26)27/h2-3,6-7,12H,4-5,8H2,1H3,(H3,22,23)(H,24,25)(H,26,27)(H,28,29)/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.130n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human enteropeptidase.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM109704
PNG
(US8609715, B-61)
Show SMILES Cc1cc(sc1CCC(=O)N[C@@H](CC(O)=O)C(O)=O)C(=O)Oc1ccc(cc1F)C(N)=N |r|
Show InChI InChI=1S/C20H20FN3O7S/c1-9-6-15(20(30)31-13-3-2-10(18(22)23)7-11(13)21)32-14(9)4-5-16(25)24-12(19(28)29)8-17(26)27/h2-3,6-7,12H,4-5,8H2,1H3,(H3,22,23)(H,24,25)(H,26,27)(H,28,29)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.5n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


US Patent US8609715 (2013)


BindingDB Entry DOI: 10.7270/Q2Z31X9X
More data for this
Ligand-Target Pair