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BDBM50226071 (S)-1-((3R,4R)-1-(4-(5-methyl-1,3,4-oxadiazol-2-yl)benzyl)-3-aminopyrrolidine-4-carbonyl)pyrrolidine-2-carbonitrile::CHEMBL399726

SMILES: Cc1nnc(o1)-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1

InChI Key: InChIKey=VFSLWMDPHBMMRV-KSZLIROESA-N

Data: 3 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 3 hits for monomerid = 50226071   
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 VIII


(Homo sapiens (Human))
BDBM50226071
PNG
((S)-1-((3R,4R)-1-(4-(5-methyl-1,3,4-oxadiazol-2-yl...)
Show SMILES Cc1nnc(o1)-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C20H24N6O2/c1-13-23-24-19(28-13)15-6-4-14(5-7-15)10-25-11-17(18(22)12-25)20(27)26-8-2-3-16(26)9-21/h4-7,16-18H,2-3,8,10-12,22H2,1H3/t16-,17+,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.04E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226071
PNG
((S)-1-((3R,4R)-1-(4-(5-methyl-1,3,4-oxadiazol-2-yl...)
Show SMILES Cc1nnc(o1)-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C20H24N6O2/c1-13-23-24-19(28-13)15-6-4-14(5-7-15)10-25-11-17(18(22)12-25)20(27)26-8-2-3-16(26)9-21/h4-7,16-18H,2-3,8,10-12,22H2,1H3/t16-,17+,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50226071
PNG
((S)-1-((3R,4R)-1-(4-(5-methyl-1,3,4-oxadiazol-2-yl...)
Show SMILES Cc1nnc(o1)-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C20H24N6O2/c1-13-23-24-19(28-13)15-6-4-14(5-7-15)10-25-11-17(18(22)12-25)20(27)26-8-2-3-16(26)9-21/h4-7,16-18H,2-3,8,10-12,22H2,1H3/t16-,17+,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of hERG by patch clamp assay


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair