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SMILES: Cl.CC(C)[C@H](NC(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(O)=O

InChI Key: InChIKey=XODIBEXXMFUDRX-LMOVPXPDSA-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 = 308241   
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))
BDBM308241
PNG
(US9655879, 9)
Show SMILES Cl.CC(C)[C@H](NC(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(O)=O |r|
Show InChI InChI=1S/C22H26FN3O5S.ClH/c1-11(2)17(19(27)28)26-21(30)22(3,4)10-13-6-8-16(32-13)20(29)31-15-7-5-12(18(24)25)9-14(15)23;/h5-9,11,17H,10H2,1-4H3,(H3,24,25)(H,26,30)(H,27,28);1H/t17-;/m0./s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.790n/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))
BDBM308241
PNG
(US9655879, 9)
Show SMILES Cl.CC(C)[C@H](NC(=O)C(C)(C)Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(O)=O |r|
Show InChI InChI=1S/C22H26FN3O5S.ClH/c1-11(2)17(19(27)28)26-21(30)22(3,4)10-13-6-8-16(32-13)20(29)31-15-7-5-12(18(24)25)9-14(15)23;/h5-9,11,17H,10H2,1-4H3,(H3,24,25)(H,26,30)(H,27,28);1H/t17-;/m0./s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.02n/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