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SMILES: [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2NC(=O)C1

InChI Key: InChIKey=BKDQILJETGHUPY-KSSFIOAISA-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 4 hits for monomerid = 50096872   
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))
BDBM50096872
PNG
(CHEMBL3580776)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2NC(=O)C1 |r|
Show InChI InChI=1S/C21H21F2N3O2/c22-16-7-12-5-6-14(15(12)8-17(16)23)18(24)9-21(28)26-10-13-3-1-2-4-19(13)25-20(27)11-26/h1-4,7-8,14,18H,5-6,9-11,24H2,(H,25,27)/t14-,18-/m0/s1
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MMDB

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Article
PubMed
n/an/a 4.90n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50096872
PNG
(CHEMBL3580776)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2NC(=O)C1 |r|
Show InChI InChI=1S/C21H21F2N3O2/c22-16-7-12-5-6-14(15(12)8-17(16)23)18(24)9-21(28)26-10-13-3-1-2-4-19(13)25-20(27)11-26/h1-4,7-8,14,18H,5-6,9-11,24H2,(H,25,27)/t14-,18-/m0/s1
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


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))
BDBM50096872
PNG
(CHEMBL3580776)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2NC(=O)C1 |r|
Show InChI InChI=1S/C21H21F2N3O2/c22-16-7-12-5-6-14(15(12)8-17(16)23)18(24)9-21(28)26-10-13-3-1-2-4-19(13)25-20(27)11-26/h1-4,7-8,14,18H,5-6,9-11,24H2,(H,25,27)/t14-,18-/m0/s1
PDB

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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 8


(Homo sapiens (Human))
BDBM50096872
PNG
(CHEMBL3580776)
Show SMILES [H][C@@]1(CCc2cc(F)c(F)cc12)[C@@H](N)CC(=O)N1Cc2ccccc2NC(=O)C1 |r|
Show InChI InChI=1S/C21H21F2N3O2/c22-16-7-12-5-6-14(15(12)8-17(16)23)18(24)9-21(28)26-10-13-3-1-2-4-19(13)25-20(27)11-26/h1-4,7-8,14,18H,5-6,9-11,24H2,(H,25,27)/t14-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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