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BDBM50443754 CHEMBL3093905

SMILES: COc1ccc(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1

InChI Key: InChIKey=YIYAUIWJPDJXEC-OBJOEFQTSA-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 = 50443754   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50443754
PNG
(CHEMBL3093905)
Show SMILES COc1ccc(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C15H18FN3O2/c1-21-13-4-2-10(3-5-13)6-14(18)15(20)19-9-11(16)7-12(19)8-17/h2-5,11-12,14H,6-7,9,18H2,1H3/t11-,12-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Nle-Pro-aminomethylc...


Bioorg Med Chem 21: 7418-29 (2013)


Article DOI: 10.1016/j.bmc.2013.09.048
BindingDB Entry DOI: 10.7270/Q2WS8VPZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50443754
PNG
(CHEMBL3093905)
Show SMILES COc1ccc(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C15H18FN3O2/c1-21-13-4-2-10(3-5-13)6-14(18)15(20)19-9-11(16)7-12(19)8-17/h2-5,11-12,14H,6-7,9,18H2,1H3/t11-,12-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of 6xHis-tagged recombinant DPP8 (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Ala-Pro-aminomethyl...


Bioorg Med Chem 21: 7418-29 (2013)


Article DOI: 10.1016/j.bmc.2013.09.048
BindingDB Entry DOI: 10.7270/Q2WS8VPZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50443754
PNG
(CHEMBL3093905)
Show SMILES COc1ccc(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C15H18FN3O2/c1-21-13-4-2-10(3-5-13)6-14(18)15(20)19-9-11(16)7-12(19)8-17/h2-5,11-12,14H,6-7,9,18H2,1H3/t11-,12-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of 6xHis-tagged recombinant DPP9 (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Ala-Pro-aminomethyl...


Bioorg Med Chem 21: 7418-29 (2013)


Article DOI: 10.1016/j.bmc.2013.09.048
BindingDB Entry DOI: 10.7270/Q2WS8VPZ
More data for this
Ligand-Target Pair