new BindingDB logo
myBDB logout

BDBM50344188 (S)-2-(1-((S)-1-carboxy-2-(4-ethyloxazol-2-yl)ethylcarbamoyl)cyclopentylamino)pentanoic acid::CHEMBL1778527

SMILES: CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC)co1)C(O)=O)C(O)=O

InChI Key: InChIKey=XLTCIQSQOMKREC-KBPBESRZSA-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 = 50344188   
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
Atrial natriuretic factor


(Homo sapiens (Human))
BDBM50344188
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-ethyloxazol-2-yl)ethy...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC)co1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H29N3O6/c1-3-7-13(16(23)24)22-19(8-5-6-9-19)18(27)21-14(17(25)26)10-15-20-12(4-2)11-28-15/h11,13-14,22H,3-10H2,1-2H3,(H,21,27)(H,23,24)(H,25,26)/t13-,14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of atrial natriuretic peptide


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344188
PNG
((S)-2-(1-((S)-1-carboxy-2-(4-ethyloxazol-2-yl)ethy...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC)co1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H29N3O6/c1-3-7-13(16(23)24)22-19(8-5-6-9-19)18(27)21-14(17(25)26)10-15-20-12(4-2)11-28-15/h11,13-14,22H,3-10H2,1-2H3,(H,21,27)(H,23,24)(H,25,26)/t13-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.109
BindingDB Entry DOI: 10.7270/Q2PG1S2F
More data for this
Ligand-Target Pair