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BDBM50326395 (2R)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl}pyrrolidine-2-boronic Acid::CHEMBL1243184

SMILES: OB(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1

InChI Key: InChIKey=ITLZQNVDXDVBBF-JYJNAYRXSA-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 = 50326395   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326395
PNG
((2R)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C19H24BN3O5/c24-17(22-10-12-4-1-2-5-13(12)11-22)9-14-8-15(21-18(14)25)19(26)23-7-3-6-16(23)20(27)28/h1-2,4-5,14-16,27-28H,3,6-11H2,(H,21,25)/t14-,15-,16-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50326395
PNG
((2R)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C19H24BN3O5/c24-17(22-10-12-4-1-2-5-13(12)11-22)9-14-8-15(21-18(14)25)19(26)23-7-3-6-16(23)20(27)28/h1-2,4-5,14-16,27-28H,3,6-11H2,(H,21,25)/t14-,15-,16-/m0/s1
PDB

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP8 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (human))
BDBM50326395
PNG
((2R)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C19H24BN3O5/c24-17(22-10-12-4-1-2-5-13(12)11-22)9-14-8-15(21-18(14)25)19(26)23-7-3-6-16(23)20(27)28/h1-2,4-5,14-16,27-28H,3,6-11H2,(H,21,25)/t14-,15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP4 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50326395
PNG
((2R)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C19H24BN3O5/c24-17(22-10-12-4-1-2-5-13(12)11-22)9-14-8-15(21-18(14)25)19(26)23-7-3-6-16(23)20(27)28/h1-2,4-5,14-16,27-28H,3,6-11H2,(H,21,25)/t14-,15-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP2 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50326395
PNG
((2R)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C19H24BN3O5/c24-17(22-10-12-4-1-2-5-13(12)11-22)9-14-8-15(21-18(14)25)19(26)23-7-3-6-16(23)20(27)28/h1-2,4-5,14-16,27-28H,3,6-11H2,(H,21,25)/t14-,15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 520n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged DPP9 expressed in insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair