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BDBM50085346 CHEMBL294290::N-((S)-1-Benzyl-3-chloro-2-oxo-propyl)-3-(3,4-dichloro-phenyl)-propionamide

SMILES: ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=QLOZGTZEJDNWFT-KRWDZBQOSA-N

Data: 5 IC50

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 5 hits for monomerid = 50085346   
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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50085346
PNG
(CHEMBL294290 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-18(24)17(11-13-4-2-1-3-5-13)23-19(25)9-7-14-6-8-15(21)16(22)10-14/h1-6,8,10,17H,7,9,11-12H2,(H,23,25)/t17-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50085346
PNG
(CHEMBL294290 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-18(24)17(11-13-4-2-1-3-5-13)23-19(25)9-7-14-6-8-15(21)16(22)10-14/h1-6,8,10,17H,7,9,11-12H2,(H,23,25)/t17-/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50085346
PNG
(CHEMBL294290 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-18(24)17(11-13-4-2-1-3-5-13)23-19(25)9-7-14-6-8-15(21)16(22)10-14/h1-6,8,10,17H,7,9,11-12H2,(H,23,25)/t17-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic trypsin (TRP)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50085346
PNG
(CHEMBL294290 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-18(24)17(11-13-4-2-1-3-5-13)23-19(25)9-7-14-6-8-15(21)16(22)10-14/h1-6,8,10,17H,7,9,11-12H2,(H,23,25)/t17-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085346
PNG
(CHEMBL294290 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-18(24)17(11-13-4-2-1-3-5-13)23-19(25)9-7-14-6-8-15(21)16(22)10-14/h1-6,8,10,17H,7,9,11-12H2,(H,23,25)/t17-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair