BindingDB logo
myBDB logout

null

SMILES: CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1Cl)C(N)=N)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O

InChI Key: InChIKey=MKSOBCCFULRBLE-NCWAPJAISA-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 = 109687   
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))
BDBM109687
PNG
(US8609715, B-44)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1Cl)C(N)=N)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H20ClN3O8S2/c1-9(17(24)23-13(18(25)26)8-33(28,29)30)6-11-3-5-15(32-11)19(27)31-14-4-2-10(16(21)22)7-12(14)20/h2-5,7,9,13H,6,8H2,1H3,(H3,21,22)(H,23,24)(H,25,26)(H,28,29,30)/t9?,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.210n/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))
BDBM109687
PNG
(US8609715, B-44)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1Cl)C(N)=N)C(=O)N[C@@H](CS(O)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H20ClN3O8S2/c1-9(17(24)23-13(18(25)26)8-33(28,29)30)6-11-3-5-15(32-11)19(27)31-14-4-2-10(16(21)22)7-12(14)20/h2-5,7,9,13H,6,8H2,1H3,(H3,21,22)(H,23,24)(H,25,26)(H,28,29,30)/t9?,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
0.570n/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