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SMILES: CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(Br)cc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1

InChI Key: InChIKey=MTVFAHPEFYZIQI-MRXNPFEDSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50516911   
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 8


(Homo sapiens (Human))
BDBM50516911
PNG
(CHEMBL4461587)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(Br)cc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H25BrN6O4/c1-3-4-10-29-18-19(26-22(29)28-9-5-6-16(25)13-28)27(2)23(34)30(20(18)31)12-14-7-8-15(24)11-17(14)21(32)33/h7-8,11,16H,5-6,9-10,12-13,25H2,1-2H3,(H,32,33)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition measured at 60 secs interv...


Eur J Med Chem 180: 509-523 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.045
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50516911
PNG
(CHEMBL4461587)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(Br)cc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H25BrN6O4/c1-3-4-10-29-18-19(26-22(29)28-9-5-6-16(25)13-28)27(2)23(34)30(20(18)31)12-14-7-8-15(24)11-17(14)21(32)33/h7-8,11,16H,5-6,9-10,12-13,25H2,1-2H3,(H,32,33)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition measured at 60 secs interv...


Eur J Med Chem 180: 509-523 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.045
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50516911
PNG
(CHEMBL4461587)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(Br)cc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C23H25BrN6O4/c1-3-4-10-29-18-19(26-22(29)28-9-5-6-16(25)13-28)27(2)23(34)30(20(18)31)12-14-7-8-15(24)11-17(14)21(32)33/h7-8,11,16H,5-6,9-10,12-13,25H2,1-2H3,(H,32,33)/t16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate preincubated for 15 mins follo...


Eur J Med Chem 180: 509-523 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.045
More data for this
Ligand-Target Pair