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BDBM50364677 CHEMBL1951466

SMILES: FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2ccc(Cl)cn2)cc1

InChI Key: InChIKey=WOZKQSJEEDBCPZ-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50364677   
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)
BDBM50364677
PNG
(CHEMBL1951466)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C25H22ClF3N2O2/c26-18-7-10-22(30-15-18)23-20-3-1-2-4-21(20)24(33-23)11-13-31(14-12-24)16-17-5-8-19(9-6-17)32-25(27,28)29/h1-10,15,23H,11-14,16H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/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))
BDBM50364677
PNG
(CHEMBL1951466)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C25H22ClF3N2O2/c26-18-7-10-22(30-15-18)23-20-3-1-2-4-21(20)24(33-23)11-13-31(14-12-24)16-17-5-8-19(9-6-17)32-25(27,28)29/h1-10,15,23H,11-14,16H2
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 54n/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