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BDBM50096880 CHEMBL3580788

SMILES: [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2N(C)C(=O)C1

InChI Key: InChIKey=XXSRKEYKCVAYLV-KXBFYZLASA-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 = 50096880   
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))
BDBM50096880
PNG
(CHEMBL3580788)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2N(C)C(=O)C1 |r|
Show InChI InChI=1S/C22H23F2N3O2/c1-26-20-5-3-2-4-14(20)11-27(12-22(26)29)21(28)10-19(25)15-7-6-13-8-17(23)18(24)9-16(13)15/h2-5,8-9,15,19H,6-7,10-12,25H2,1H3/t15-,19-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DPP4 extracted from human Caco2 cells using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assay


ACS Med Chem Lett 6: 602-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00074
BindingDB Entry DOI: 10.7270/Q22J6DM2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50096880
PNG
(CHEMBL3580788)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2N(C)C(=O)C1 |r|
Show InChI InChI=1S/C22H23F2N3O2/c1-26-20-5-3-2-4-14(20)11-27(12-22(26)29)21(28)10-19(25)15-7-6-13-8-17(23)18(24)9-16(13)15/h2-5,8-9,15,19H,6-7,10-12,25H2,1H3/t15-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assay


ACS Med Chem Lett 6: 602-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00074
BindingDB Entry DOI: 10.7270/Q22J6DM2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50096880
PNG
(CHEMBL3580788)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2N(C)C(=O)C1 |r|
Show InChI InChI=1S/C22H23F2N3O2/c1-26-20-5-3-2-4-14(20)11-27(12-22(26)29)21(28)10-19(25)15-7-6-13-8-17(23)18(24)9-16(13)15/h2-5,8-9,15,19H,6-7,10-12,25H2,1H3/t15-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assay


ACS Med Chem Lett 6: 602-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00074
BindingDB Entry DOI: 10.7270/Q22J6DM2
More data for this
Ligand-Target Pair