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BDBM50121282 (S)-1-((S)-2-aminobutanoyl)-N-butylindoline-2-carboxamide::1-(2-Amino-butyryl)-2,3-dihydro-1H-indole-2-carboxylic acid butylamide::CHEMBL151059

SMILES: CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC

InChI Key: InChIKey=HAQIRIMIVLFYIX-ZFWWWQNUSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50121282   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50121282
PNG
((S)-1-((S)-2-aminobutanoyl)-N-butylindoline-2-carb...)
Show SMILES CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC
Show InChI InChI=1S/C17H25N3O2/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21)/t13-,15-/m0/s1
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PC cid
PC sid
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Article
PubMed
7n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50121282
PNG
((S)-1-((S)-2-aminobutanoyl)-N-butylindoline-2-carb...)
Show SMILES CCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC
Show InChI InChI=1S/C17H25N3O2/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21)/t13-,15-/m0/s1
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PubMed
n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tripeptidyl peptidase II purified from rat liver


J Med Chem 45: 5303-10 (2002)


BindingDB Entry DOI: 10.7270/Q2736Q7X
More data for this
Ligand-Target Pair