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1 similar compounds to monomer 50168279

Compile data set for download or QSAR
Wt: 416.5
BDBM50201597

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50201597   
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))
BDBM50201597
PNG
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)
Show SMILES COc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC
Show InChI InChI=1S/C22H32N4O4/c1-22(2,25-15-21(28)26-11-5-6-17(26)14-23)13-20(27)24-10-9-16-7-8-18(29-3)19(12-16)30-4/h7-8,12,17,25H,5-6,9-11,13,15H2,1-4H3,(H,24,27)/t17-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
In vitro inhibition of FAP, seprase


Bioorg Med Chem Lett 17: 1274-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50201597
PNG
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)
Show SMILES COc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC
Show InChI InChI=1S/C22H32N4O4/c1-22(2,25-15-21(28)26-11-5-6-17(26)14-23)13-20(27)24-10-9-16-7-8-18(29-3)19(12-16)30-4/h7-8,12,17,25H,5-6,9-11,13,15H2,1-4H3,(H,24,27)/t17-/m0/s1
PDB
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UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 232n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
In vitro inhibition of DPP-4


Bioorg Med Chem Lett 17: 1274-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50201597
PNG
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)
Show SMILES COc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC
Show InChI InChI=1S/C22H32N4O4/c1-22(2,25-15-21(28)26-11-5-6-17(26)14-23)13-20(27)24-10-9-16-7-8-18(29-3)19(12-16)30-4/h7-8,12,17,25H,5-6,9-11,13,15H2,1-4H3,(H,24,27)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
In vitro inhibition of DPP-II


Bioorg Med Chem Lett 17: 1274-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50201597
PNG
((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...)
Show SMILES COc1ccc(CCNC(=O)CC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cc1OC
Show InChI InChI=1S/C22H32N4O4/c1-22(2,25-15-21(28)26-11-5-6-17(26)14-23)13-20(27)24-10-9-16-7-8-18(29-3)19(12-16)30-4/h7-8,12,17,25H,5-6,9-11,13,15H2,1-4H3,(H,24,27)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
In vitro inhibition of DPP-8


Bioorg Med Chem Lett 17: 1274-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.019
BindingDB Entry DOI: 10.7270/Q23T9GV7
More data for this
Ligand-Target Pair