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BDBM50296131 CHEMBL564249::N-(((S)-1-((R)-3-amino-4-(3-chlorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-3-(methylsulfonyl)benzamide::N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide

SMILES: CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1

InChI Key: InChIKey=QRGBOABBMKYMLG-UXHICEINSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50296131   
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
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50296131
PNG
(CHEMBL564249 | N-(((S)-1-((R)-3-amino-4-(3-chlorop...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-9-3-6-17(13-21)23(29)26-15-20-8-4-10-27(20)22(28)14-19(25)12-16-5-2-7-18(24)11-16/h2-3,5-7,9,11,13,19-20H,4,8,10,12,14-15,25H2,1H3,(H,26,29)/t19-,20+/m1/s1
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Article
PubMed
n/an/a 0.380n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 4201-3 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50296131
PNG
(CHEMBL564249 | N-(((S)-1-((R)-3-amino-4-(3-chlorop...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-9-3-6-17(13-21)23(29)26-15-20-8-4-10-27(20)22(28)14-19(25)12-16-5-2-7-18(24)11-16/h2-3,5-7,9,11,13,19-20H,4,8,10,12,14-15,25H2,1H3,(H,26,29)/t19-,20+/m1/s1
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PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 4201-3 (2009)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50296131
PNG
(CHEMBL564249 | N-(((S)-1-((R)-3-amino-4-(3-chlorop...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-9-3-6-17(13-21)23(29)26-15-20-8-4-10-27(20)22(28)14-19(25)12-16-5-2-7-18(24)11-16/h2-3,5-7,9,11,13,19-20H,4,8,10,12,14-15,25H2,1H3,(H,26,29)/t19-,20+/m1/s1
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PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 4201-3 (2009)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50296131
PNG
(CHEMBL564249 | N-(((S)-1-((R)-3-amino-4-(3-chlorop...)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-9-3-6-17(13-21)23(29)26-15-20-8-4-10-27(20)22(28)14-19(25)12-16-5-2-7-18(24)11-16/h2-3,5-7,9,11,13,19-20H,4,8,10,12,14-15,25H2,1H3,(H,26,29)/t19-,20+/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
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PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



Santhera Pharmaceuticals (Switzerland) Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP7 by continuous fluorimetric assay


Bioorg Med Chem Lett 19: 4201-3 (2009)

More data for this
Ligand-Target Pair