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BDBM50000100 (-)-(S)-proline::(-)-2-pyrrolidinecarboxylic acid::(-)-proline::(2S)-pyrrolidine-2-carboxylic acid::(S)-2-carboxypyrrolidine::(S)-2-pyrrolidinecarboxylic acid::(S)-pyrrolidine-2-carboxylic acid::CHEMBL54922::L-(-)-proline::L-Prolin::L-alpha-pyrrolidinecarboxylic acid::L-proline::L-pyrrolidine-2-carboxylic acid::prolina::prolinum

SMILES: OC(=O)[C@@H]1CCCN1

InChI Key: InChIKey=ONIBWKKTOPOVIA-BYPYZUCNSA-N

Data: 2 KI  1 IC50

PDB links: 59 PDB IDs match this monomer.

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 3 hits for monomerid = 50000100   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50000100
PNG
((-)-(S)-proline | (-)-2-pyrrolidinecarboxylic acid...)
Show SMILES OC(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
PDB
MMDB

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PDB
Article
PubMed
8.60E+4n/an/an/an/an/an/an/an/a



E£tv£s Lor£nd University

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assay


J Med Chem 56: 8377-88 (2013)


Article DOI: 10.1021/jm400813y
BindingDB Entry DOI: 10.7270/Q2MG7SGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proton-coupled amino acid transporter 1


(Homo sapiens (Human))
BDBM50000100
PNG
((-)-(S)-proline | (-)-2-pyrrolidinecarboxylic acid...)
Show SMILES OC(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
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Article
PubMed
1.60E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting


Bioorg Med Chem 19: 6409-18 (2011)

Checked by Author
Article DOI: 10.1016/j.bmc.2011.08.058
BindingDB Entry DOI: 10.7270/Q2NZ882D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50000100
PNG
((-)-(S)-proline | (-)-2-pyrrolidinecarboxylic acid...)
Show SMILES OC(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
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n/an/a 4.14E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required to inhibit [3H]-strychnine binding to N-methyl-D-aspartate glutamate receptor 1


J Med Chem 35: 233-41 (1992)


Article DOI: 10.1021/jm00080a006
BindingDB Entry DOI: 10.7270/Q26W9911
More data for this
Ligand-Target Pair