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BDBM50050517 Boronic acid derivative::CHEMBL305170::N-alkyl Gly-boro-Pro derivative

SMILES: CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O

InChI Key: InChIKey=FKCMADOPPWWGNZ-JGVFFNPUSA-N

Data: 6 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 6 hits for monomerid = 50050517   
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))
BDBM50050517
PNG
(Boronic acid derivative | CHEMBL305170 | N-alkyl G...)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human FAP using Lys-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50050517
PNG
(Boronic acid derivative | CHEMBL305170 | N-alkyl G...)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP4 using Gly-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair
Endopeptidase prolyl oligopeptidase (PREP)


(Homo sapiens (Human))
BDBM50050517
PNG
(Boronic acid derivative | CHEMBL305170 | N-alkyl G...)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of Prolyl endopeptidase


J Med Chem 39: 2087-94 (1996)


Article DOI: 10.1021/jm950732f
BindingDB Entry DOI: 10.7270/Q29Z95K5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50050517
PNG
(Boronic acid derivative | CHEMBL305170 | N-alkyl G...)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1
PDB
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Article
PubMed
n/an/a 1.16E+5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro for inhibition of Dipeptidylpeptidase IV.


J Med Chem 39: 2087-94 (1996)


Article DOI: 10.1021/jm950732f
BindingDB Entry DOI: 10.7270/Q29Z95K5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50050517
PNG
(Boronic acid derivative | CHEMBL305170 | N-alkyl G...)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of Dipeptidylpeptidase II


J Med Chem 39: 2087-94 (1996)


Article DOI: 10.1021/jm950732f
BindingDB Entry DOI: 10.7270/Q29Z95K5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50050517
PNG
(Boronic acid derivative | CHEMBL305170 | N-alkyl G...)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human DPP7 using Ala-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair