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BDBM308512 US9655879, 48

SMILES: Cl.CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(CC(O)=O)cc1

InChI Key: InChIKey=FMQUCBATRXHMPW-UHFFFAOYSA-N

Data: 2 KI

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 = 308512   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Enteropeptidase


(Homo sapiens (Human))
BDBM308512
PNG
(US9655879, 48)
Show SMILES Cl.CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C27H28FN3O5S/c1-3-27(4-2,26(35)31-18-8-5-16(6-9-18)13-23(32)33)15-19-10-12-22(37-19)25(34)36-21-11-7-17(24(29)30)14-20(21)28/h5-12,14H,3-4,13,15H2,1-2H3,(H3,29,30)(H,31,35)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.41n/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
Trypsin-1


(Homo sapiens (Human))
BDBM308512
PNG
(US9655879, 48)
Show SMILES Cl.CCC(CC)(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)Nc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C27H28FN3O5S/c1-3-27(4-2,26(35)31-18-8-5-16(6-9-18)13-23(32)33)15-19-10-12-22(37-19)25(34)36-21-11-7-17(24(29)30)14-20(21)28/h5-12,14H,3-4,13,15H2,1-2H3,(H3,29,30)(H,31,35)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.35n/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