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BDBM50170960 CHEMBL3804940

SMILES: Cc1ccn2nc3CN(Cc3c2n1)[C@@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F

InChI Key: InChIKey=QZZSCRGUGISYCP-WOVYWWTOSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50170960   
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))
BDBM50170960
PNG
(CHEMBL3804940)
Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H20F3N5O/c1-10-2-3-28-20(25-10)13-7-27(8-18(13)26-28)11-4-17(24)19(29-9-11)12-5-15(22)16(23)6-14(12)21/h2-3,5-6,11,17,19H,4,7-9,24H2,1H3/t11-,17-,19+/m0/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 8.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 26: 2622-6 (2016)


BindingDB Entry DOI: 10.7270/Q2Z321JP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50170960
PNG
(CHEMBL3804940)
Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H20F3N5O/c1-10-2-3-28-20(25-10)13-7-27(8-18(13)26-28)11-4-17(24)19(29-9-11)12-5-15(22)16(23)6-14(12)21/h2-3,5-6,11,17,19H,4,7-9,24H2,1H3/t11-,17-,19+/m0/s1
PDB

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UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 26: 2622-6 (2016)


BindingDB Entry DOI: 10.7270/Q2Z321JP
More data for this
Ligand-Target Pair
Lysosomal phospholipase A1


(Rattus norvegicus)
BDBM50170960
PNG
(CHEMBL3804940)
Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H20F3N5O/c1-10-2-3-28-20(25-10)13-7-27(8-18(13)26-28)11-4-17(24)19(29-9-11)12-5-15(22)16(23)6-14(12)21/h2-3,5-6,11,17,19H,4,7-9,24H2,1H3/t11-,17-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 26: 2622-6 (2016)


BindingDB Entry DOI: 10.7270/Q2Z321JP
More data for this
Ligand-Target Pair