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BDBM50364680 CHEMBL1951469

SMILES: FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cccnc32)c2cc(Cl)ccn2)cc1

InChI Key: InChIKey=QJAHKJMEFFSZQQ-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 = 50364680   
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)
BDBM50364680
PNG
(CHEMBL1951469)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cccnc32)c2cc(Cl)ccn2)cc1
Show InChI InChI=1S/C24H21ClF3N3O2/c25-17-7-11-29-20(14-17)21-19-2-1-10-30-22(19)23(33-21)8-12-31(13-9-23)15-16-3-5-18(6-4-16)32-24(26,27)28/h1-7,10-11,14,21H,8-9,12-13,15H2
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80n/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))
BDBM50364680
PNG
(CHEMBL1951469)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cccnc32)c2cc(Cl)ccn2)cc1
Show InChI InChI=1S/C24H21ClF3N3O2/c25-17-7-11-29-20(14-17)21-19-2-1-10-30-22(19)23(33-21)8-12-31(13-9-23)15-16-3-5-18(6-4-16)32-24(26,27)28/h1-7,10-11,14,21H,8-9,12-13,15H2
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 15.6n/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