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BDBM50275212 CHEMBL4127473

SMILES: [#6]-[#6]-[#6](=O)[Se;v2][#6]-[#6](-[#6]-c1cnc(-[#7])c(Cl)c1)-[#6](-[#8])=O

InChI Key: InChIKey=DMSZKGIZIIXNLW-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50275212   
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
Carboxypeptidase N, catalytic subunit


(Homo sapiens (Human))
BDBM50275212
PNG
(CHEMBL4127473)
Show SMILES [#6]-[#6]-[#6](=O)[Se;v2][#6]-[#6](-[#6]-c1cnc(-[#7])c(Cl)c1)-[#6](-[#8])=O
Show InChI InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)
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n/an/a>3.80n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase N preincubated for 10 mins followed by hippuryl-lysine substrate addition measured after 30 mins in presence of ...


Bioorg Med Chem Lett 28: 2256-2260 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.042
BindingDB Entry DOI: 10.7270/Q25M686N
More data for this
Ligand-Target Pair
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))
BDBM50275212
PNG
(CHEMBL4127473)
Show SMILES [#6]-[#6]-[#6](=O)[Se;v2][#6]-[#6](-[#6]-c1cnc(-[#7])c(Cl)c1)-[#6](-[#8])=O
Show InChI InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)
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n/an/a 1.5n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human plasma activated thrombin-activatable fibrinolysis inhibitor after 10 mins in presence of DTT


Bioorg Med Chem Lett 28: 2256-2260 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.042
BindingDB Entry DOI: 10.7270/Q25M686N
More data for this
Ligand-Target Pair
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))
BDBM50275212
PNG
(CHEMBL4127473)
Show SMILES [#6]-[#6]-[#6](=O)[Se;v2][#6]-[#6](-[#6]-c1cnc(-[#7])c(Cl)c1)-[#6](-[#8])=O
Show InChI InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)
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n/an/a 3.70n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human plasma activated thrombin-activatable fibrinolysis inhibitor after 10 mins in absence of DTT


Bioorg Med Chem Lett 28: 2256-2260 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.042
BindingDB Entry DOI: 10.7270/Q25M686N
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50275212
PNG
(CHEMBL4127473)
Show SMILES [#6]-[#6]-[#6](=O)[Se;v2][#6]-[#6](-[#6]-c1cnc(-[#7])c(Cl)c1)-[#6](-[#8])=O
Show InChI InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)
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n/an/a 2.5n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreas carboxypeptidase B after 10 mins in absence of DTT


Bioorg Med Chem Lett 28: 2256-2260 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.042
BindingDB Entry DOI: 10.7270/Q25M686N
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50275212
PNG
(CHEMBL4127473)
Show SMILES [#6]-[#6]-[#6](=O)[Se;v2][#6]-[#6](-[#6]-c1cnc(-[#7])c(Cl)c1)-[#6](-[#8])=O
Show InChI InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreas carboxypeptidase B after 10 mins in presence of DTT


Bioorg Med Chem Lett 28: 2256-2260 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.042
BindingDB Entry DOI: 10.7270/Q25M686N
More data for this
Ligand-Target Pair
Carboxypeptidase N, catalytic subunit


(Homo sapiens (Human))
BDBM50275212
PNG
(CHEMBL4127473)
Show SMILES [#6]-[#6]-[#6](=O)[Se;v2][#6]-[#6](-[#6]-c1cnc(-[#7])c(Cl)c1)-[#6](-[#8])=O
Show InChI InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)
PDB
MMDB

Reactome pathway
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UniChem

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Article
PubMed
n/an/a>3.80n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase N preincubated for 10 mins followed by hippuryl-lysine substrate addition measured after 30 mins in absence of D...


Bioorg Med Chem Lett 28: 2256-2260 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.042
BindingDB Entry DOI: 10.7270/Q25M686N
More data for this
Ligand-Target Pair