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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 522.8
BDBM50328535

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))
BDBM50328535
PNG
(5,6-Dichloro-2-[(2S)-1-(2-methylalanyl-4-chloro-L-...)
Show SMILES CC(C)(N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C24H26Cl3N5O2/c1-24(2,28)23(34)31-19(10-13-5-7-14(25)8-6-13)22(33)32-9-3-4-20(32)21-29-17-11-15(26)16(27)12-18(17)30-21/h5-8,11-12,19-20H,3-4,9-10,28H2,1-2H3,(H,29,30)(H,31,34)/t19-,20-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/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))
BDBM50328535
PNG
(5,6-Dichloro-2-[(2S)-1-(2-methylalanyl-4-chloro-L-...)
Show SMILES CC(C)(N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 |r|
Show InChI InChI=1S/C24H26Cl3N5O2/c1-24(2,28)23(34)31-19(10-13-5-7-14(25)8-6-13)22(33)32-9-3-4-20(32)21-29-17-11-15(26)16(27)12-18(17)30-21/h5-8,11-12,19-20H,3-4,9-10,28H2,1-2H3,(H,29,30)(H,31,34)/t19-,20-/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 114n/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