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BDBM50364678 CHEMBL1951467

SMILES: FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2ccccn2)cc1

InChI Key: InChIKey=JAPIDKMATJUVAF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50364678   
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
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50364678
PNG
(CHEMBL1951467)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2ccccn2)cc1
Show InChI InChI=1S/C25H23F3N2O2/c26-25(27,28)31-19-10-8-18(9-11-19)17-30-15-12-24(13-16-30)21-6-2-1-5-20(21)23(32-24)22-7-3-4-14-29-22/h1-11,14,23H,12-13,15-17H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse PrCP


Bioorg Med Chem Lett 22: 1550-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.002
BindingDB Entry DOI: 10.7270/Q2JS9QXQ
More data for this
Ligand-Target Pair
Prolylcarboxypeptidase (PRCP)


(Homo sapiens (Human))
BDBM50364678
PNG
(CHEMBL1951467)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2ccccn2)cc1
Show InChI InChI=1S/C25H23F3N2O2/c26-25(27,28)31-19-10-8-18(9-11-19)17-30-15-12-24(13-16-30)21-6-2-1-5-20(21)23(32-24)22-7-3-4-14-29-22/h1-11,14,23H,12-13,15-17H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP


Bioorg Med Chem Lett 22: 1550-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.002
BindingDB Entry DOI: 10.7270/Q2JS9QXQ
More data for this
Ligand-Target Pair