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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 516.4
BDBM50328529

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))
BDBM50328529
PNG
(5,6-Dichloro-2-[(2S)-1-(2-methylalanyl-beta,beta-d...)
Show SMILES CC(C)(N)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)(C)c1ccccc1 |r|
Show InChI InChI=1S/C26H31Cl2N5O2/c1-25(2,15-9-6-5-7-10-15)21(32-24(35)26(3,4)29)23(34)33-12-8-11-20(33)22-30-18-13-16(27)17(28)14-19(18)31-22/h5-7,9-10,13-14,20-21H,8,11-12,29H2,1-4H3,(H,30,31)(H,32,35)/t20-,21+/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 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP by FRET


J Med Chem 53: 7251-63 (2010)


Article DOI: 10.1021/jm101013m
BindingDB Entry DOI: 10.7270/Q2QV3MQR
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50328529
PNG
(5,6-Dichloro-2-[(2S)-1-(2-methylalanyl-beta,beta-d...)
Show SMILES CC(C)(N)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)(C)c1ccccc1 |r|
Show InChI InChI=1S/C26H31Cl2N5O2/c1-25(2,15-9-6-5-7-10-15)21(32-24(35)26(3,4)29)23(34)33-12-8-11-20(33)22-30-18-13-16(27)17(28)14-19(18)31-22/h5-7,9-10,13-14,20-21H,8,11-12,29H2,1-4H3,(H,30,31)(H,32,35)/t20-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP by FRET in presence of 1% mouse serum albumin


J Med Chem 53: 7251-63 (2010)


Article DOI: 10.1021/jm101013m
BindingDB Entry DOI: 10.7270/Q2QV3MQR
More data for this
Ligand-Target Pair