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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aminopeptidase B' and Ligand = 'BDBM50022751'   
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
Aminopeptidase B


(Rattus norvegicus)
BDBM50022751
PNG
(2-(3-Amino-2-mercapto-4-phenyl-butyrylamino)-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-13(16(20)21)18-15(19)14(22)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,22H,8-9,17H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,14+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
4.60n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase B


J Med Chem 31: 2193-9 (1988)


BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Aminopeptidase B


(Rattus norvegicus)
BDBM50022751
PNG
(2-(3-Amino-2-mercapto-4-phenyl-butyrylamino)-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-13(16(20)21)18-15(19)14(22)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,22H,8-9,17H2,1-2H3,(H,18,19)(H,20,21)/t12-,13+,14+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
6.40n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase B


J Med Chem 31: 2193-9 (1988)


BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair