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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 541.4
BDBM50338031

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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


(Homo sapiens (Human))
BDBM50338031
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ncccn1 |r|
Show InChI InChI=1S/C25H26Cl2N8O2/c26-16-13-18-19(14-17(16)27)31-22(30-18)20-3-1-9-35(20)21(36)6-12-34-10-4-15(5-11-34)25-32-24(33-37-25)23-28-7-2-8-29-23/h2,7-8,13-15,20H,1,3-6,9-12H2,(H,30,31)/t20-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP


Bioorg Med Chem Lett 21: 1299-305 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.090
BindingDB Entry DOI: 10.7270/Q2VX0GSS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Mus musculus)
BDBM50338031
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1nc(no1)-c1ncccn1 |r|
Show InChI InChI=1S/C25H26Cl2N8O2/c26-16-13-18-19(14-17(16)27)31-22(30-18)20-3-1-9-35(20)21(36)6-12-34-10-4-15(5-11-34)25-32-24(33-37-25)23-28-7-2-8-29-23/h2,7-8,13-15,20H,1,3-6,9-12H2,(H,30,31)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 745n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PrCP in mouse plasma assessed as angiotensin 3 cleavage


Bioorg Med Chem Lett 21: 1299-305 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.090
BindingDB Entry DOI: 10.7270/Q2VX0GSS
More data for this
Ligand-Target Pair