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BDBM45437 2-[[1-(4-chloro-2,5-dimethyl-phenyl)sulfonylprolyl]amino]propionic acid methyl ester::2-[[[1-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid methyl ester::MLS000113797::SMR000109689::cid_2930409::methyl 2-[[1-(4-chloranyl-2,5-dimethyl-phenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoate::methyl 2-[[1-(4-chloro-2,5-dimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoate

SMILES: COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C

InChI Key: InChIKey=RARDHEXCDGEDBD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 45437   
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
Kallikrein 5


(Homo sapiens (Human))
BDBM45437
PNG
(2-[[1-(4-chloro-2,5-dimethyl-phenyl)sulfonylprolyl...)
Show SMILES COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C
Show InChI InChI=1S/C17H23ClN2O5S/c1-10-9-15(11(2)8-13(10)18)26(23,24)20-7-5-6-14(20)16(21)19-12(3)17(22)25-4/h8-9,12,14H,5-7H2,1-4H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM45437
PNG
(2-[[1-(4-chloro-2,5-dimethyl-phenyl)sulfonylprolyl...)
Show SMILES COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C
Show InChI InChI=1S/C17H23ClN2O5S/c1-10-9-15(11(2)8-13(10)18)26(23,24)20-7-5-6-14(20)16(21)19-12(3)17(22)25-4/h8-9,12,14H,5-7H2,1-4H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair