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BDBM50243318 ((2S,4R)-4-(dibenzylamino)pyrrolidin-2-yl)(isoindolin-2-yl)methanone::CHEMBL508197

SMILES: O=C([C@@H]1C[C@H](CN1)N(Cc1ccccc1)Cc1ccccc1)N1Cc2ccccc2C1

InChI Key: InChIKey=IJJMFWDKXXPQOS-FTJBHMTQSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50243318   
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 2 (DPP II)


(Homo sapiens (Human))
BDBM50243318
PNG
(((2S,4R)-4-(dibenzylamino)pyrrolidin-2-yl)(isoindo...)
Show SMILES O=C([C@@H]1C[C@H](CN1)N(Cc1ccccc1)Cc1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C27H29N3O/c31-27(30-19-23-13-7-8-14-24(23)20-30)26-15-25(16-28-26)29(17-21-9-3-1-4-10-21)18-22-11-5-2-6-12-22/h1-14,25-26,28H,15-20H2/t25-,26+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4159-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.079
BindingDB Entry DOI: 10.7270/Q2KS6RC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50243318
PNG
(((2S,4R)-4-(dibenzylamino)pyrrolidin-2-yl)(isoindo...)
Show SMILES O=C([C@@H]1C[C@H](CN1)N(Cc1ccccc1)Cc1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C27H29N3O/c31-27(30-19-23-13-7-8-14-24(23)20-30)26-15-25(16-28-26)29(17-21-9-3-1-4-10-21)18-22-11-5-2-6-12-22/h1-14,25-26,28H,15-20H2/t25-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


Bioorg Med Chem Lett 18: 4159-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.079
BindingDB Entry DOI: 10.7270/Q2KS6RC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50243318
PNG
(((2S,4R)-4-(dibenzylamino)pyrrolidin-2-yl)(isoindo...)
Show SMILES O=C([C@@H]1C[C@H](CN1)N(Cc1ccccc1)Cc1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C27H29N3O/c31-27(30-19-23-13-7-8-14-24(23)20-30)26-15-25(16-28-26)29(17-21-9-3-1-4-10-21)18-22-11-5-2-6-12-22/h1-14,25-26,28H,15-20H2/t25-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 18: 4159-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.079
BindingDB Entry DOI: 10.7270/Q2KS6RC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50243318
PNG
(((2S,4R)-4-(dibenzylamino)pyrrolidin-2-yl)(isoindo...)
Show SMILES O=C([C@@H]1C[C@H](CN1)N(Cc1ccccc1)Cc1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C27H29N3O/c31-27(30-19-23-13-7-8-14-24(23)20-30)26-15-25(16-28-26)29(17-21-9-3-1-4-10-21)18-22-11-5-2-6-12-22/h1-14,25-26,28H,15-20H2/t25-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 4159-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.079
BindingDB Entry DOI: 10.7270/Q2KS6RC4
More data for this
Ligand-Target Pair