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SMILES: Cn1cnc2cc(C(N)=O)c(c(CN)c12)-c1ccccc1Cl

InChI Key: InChIKey=VDKSGGKROZFPCZ-UHFFFAOYSA-N

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 2 hits for monomerid = 50375228   
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 4


(Homo sapiens (Human))		BDBM50375228
PNG
(CHEMBL273209)
Show SMILES Cn1cnc2cc(C(N)=O)c(c(CN)c12)-c1ccccc1Cl |(-.2,-21.79,;-.66,-23.26,;.26,-24.51,;-.64,-25.77,;-2.12,-25.3,;-3.46,-26.07,;-4.79,-25.31,;-6.13,-26.08,;-7.46,-25.31,;-6.13,-27.62,;-4.79,-23.76,;-3.47,-22.99,;-3.47,-21.45,;-2.14,-20.68,;-2.13,-23.75,;-6.12,-23,;-7.46,-23.77,;-8.79,-23,;-8.79,-21.45,;-7.46,-20.68,;-6.13,-21.45,;-4.8,-20.67,)|
Show InChI InChI=1S/C16H15ClN4O/c1-21-8-20-13-6-10(16(19)22)14(11(7-18)15(13)21)9-4-2-3-5-12(9)17/h2-6,8H,7,18H2,1H3,(H2,19,22)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human DPP4

Bioorg Med Chem Lett 18: 2362-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.071
BindingDB Entry DOI: 10.7270/Q29P32GJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50375228
PNG
(CHEMBL273209)
Show SMILES Cn1cnc2cc(C(N)=O)c(c(CN)c12)-c1ccccc1Cl |(-.2,-21.79,;-.66,-23.26,;.26,-24.51,;-.64,-25.77,;-2.12,-25.3,;-3.46,-26.07,;-4.79,-25.31,;-6.13,-26.08,;-7.46,-25.31,;-6.13,-27.62,;-4.79,-23.76,;-3.47,-22.99,;-3.47,-21.45,;-2.14,-20.68,;-2.13,-23.75,;-6.12,-23,;-7.46,-23.77,;-8.79,-23,;-8.79,-21.45,;-7.46,-20.68,;-6.13,-21.45,;-4.8,-20.67,)|
Show InChI InChI=1S/C16H15ClN4O/c1-21-8-20-13-6-10(16(19)22)14(11(7-18)15(13)21)9-4-2-3-5-12(9)17/h2-6,8H,7,18H2,1H3,(H2,19,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of DPP8

Bioorg Med Chem Lett 18: 2362-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.071
BindingDB Entry DOI: 10.7270/Q29P32GJ
More data for this
Ligand-Target Pair