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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 583.4
BDBM50338034

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))
BDBM50338034
PNG
((S)-4-(5-(1-(3-(2-(5,6-dichloro-1H-benzo[d]imidazo...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r|
Show InChI InChI=1S/C28H28Cl2N6O4/c29-19-14-21-22(15-20(19)30)32-26(31-21)23-2-1-10-36(23)24(37)9-13-35-11-7-17(8-12-35)27-33-25(34-40-27)16-3-5-18(6-4-16)28(38)39/h3-6,14-15,17,23H,1-2,7-13H2,(H,31,32)(H,38,39)/t23-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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)
BDBM50338034
PNG
((S)-4-(5-(1-(3-(2-(5,6-dichloro-1H-benzo[d]imidazo...)
Show SMILES OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 |r|
Show InChI InChI=1S/C28H28Cl2N6O4/c29-19-14-21-22(15-20(19)30)32-26(31-21)23-2-1-10-36(23)24(37)9-13-35-11-7-17(8-12-35)27-33-25(34-40-27)16-3-5-18(6-4-16)28(38)39/h3-6,14-15,17,23H,1-2,7-13H2,(H,31,32)(H,38,39)/t23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 241n/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