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BDBM50395731 CHEMBL2164452

SMILES: CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1

InChI Key: InChIKey=UHQFZYXCXBJDLU-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50395731   
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
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
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Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
PDB
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Reactome pathway
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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophot...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50395731
PNG
(CHEMBL2164452)
Show SMILES CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1
Show InChI InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins b...


J Med Chem 55: 7696-705 (2012)


Article DOI: 10.1021/jm300735t
BindingDB Entry DOI: 10.7270/Q2N58NHV
More data for this
Ligand-Target Pair