new BindingDB logo
myBDB logout

BDBM50020766 (R+S)-[Cyclopentyl-(3-mercapto-2-methyl-propionyl)-amino]-acetic acid::(S)-[Cyclopentyl-(3-mercapto-2-methyl-propionyl)-amino]-acetic acid::CHEMBL1788151::CHEMBL23523::[Cyclopentyl-(3-mercapto-2-methyl-propionyl)-amino]-acetic acid; Dicyclohexyl amine salt

SMILES: CC(CS)C(=O)N(CC(O)=O)C1CCCC1

InChI Key: InChIKey=ALRGMGVUAWHELZ-UHFFFAOYSA-N

Data: 2 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 = 50020766   
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020766
PNG
((R+S)-[Cyclopentyl-(3-mercapto-2-methyl-propionyl)...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCCC1
Show InChI InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12(6-10(13)14)9-4-2-3-5-9/h8-9,16H,2-7H2,1H3,(H,13,14)
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3


J Med Chem 28: 57-66 (1985)


BindingDB Entry DOI: 10.7270/Q2M90975
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50020766
PNG
((R+S)-[Cyclopentyl-(3-mercapto-2-methyl-propionyl)...)
Show SMILES CC(CS)C(=O)N(CC(O)=O)C1CCCC1
Show InChI InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12(6-10(13)14)9-4-2-3-5-9/h8-9,16H,2-7H2,1H3,(H,13,14)
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair