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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysosomal Pro-X carboxypeptidase' and Ligand = 'BDBM50383419'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50383419
PNG
(CHEMBL2031597)
Show SMILES C[C@@]1(N)C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ccnn1-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C27H28ClF3N4O/c1-27(32)14-20(19-4-2-17(29)12-24(19)31)21(15-27)26(36)34-10-7-16(8-11-34)25-6-9-33-35(25)18-3-5-23(30)22(28)13-18/h2-6,9,12-13,16,20-21H,7-8,10-11,14-15,32H2,1H3/t20-,21+,27+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse PrCP


Bioorg Med Chem Lett 22: 2818-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50383419
PNG
(CHEMBL2031597)
Show SMILES C[C@@]1(N)C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1CCC(CC1)c1ccnn1-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C27H28ClF3N4O/c1-27(32)14-20(19-4-2-17(29)12-24(19)31)21(15-27)26(36)34-10-7-16(8-11-34)25-6-9-33-35(25)18-3-5-23(30)22(28)13-18/h2-6,9,12-13,16,20-21H,7-8,10-11,14-15,32H2,1H3/t20-,21+,27+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP


Bioorg Med Chem Lett 22: 2818-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.077
BindingDB Entry DOI: 10.7270/Q2J967D7
More data for this
Ligand-Target Pair