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BDBM50027357 1-(4-Carboxy-2-methyl-butyryl)-pyrrolidine-2-carboxylic acid::CHEMBL78780

SMILES: C[C@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O

InChI Key: InChIKey=VCEONNJJOZVVIA-SFYZADRCSA-N

Data: 1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50027357   
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
Renin


(Homo sapiens (Human))
BDBM50027357
PNG
(1-(4-Carboxy-2-methyl-butyryl)-pyrrolidine-2-carbo...)
Show SMILES C[C@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C11H17NO5/c1-7(4-5-9(13)14)10(15)12-6-2-3-8(12)11(16)17/h7-8H,2-6H2,1H3,(H,13,14)(H,16,17)/t7-,8+/m1/s1
PDB
MMDB

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PC cid
PC sid
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PubMed
800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antihypertensive activity against human renin


J Med Chem 24: 355-61 (1981)


BindingDB Entry DOI: 10.7270/Q2PC32XP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027357
PNG
(1-(4-Carboxy-2-methyl-butyryl)-pyrrolidine-2-carbo...)
Show SMILES C[C@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C11H17NO5/c1-7(4-5-9(13)14)10(15)12-6-2-3-8(12)11(16)17/h7-8H,2-6H2,1H3,(H,13,14)(H,16,17)/t7-,8+/m1/s1
PDB
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin converting enzyme (ACE)


J Med Chem 36: 2390-403 (1993)


BindingDB Entry DOI: 10.7270/Q2Z320V9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50027357
PNG
(1-(4-Carboxy-2-methyl-butyryl)-pyrrolidine-2-carbo...)
Show SMILES C[C@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C11H17NO5/c1-7(4-5-9(13)14)10(15)12-6-2-3-8(12)11(16)17/h7-8H,2-6H2,1H3,(H,13,14)(H,16,17)/t7-,8+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom


J Med Chem 45: 5609-16 (2002)


BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair