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BDBM50344187 (S)-2-((S)-1-((S)-2-(biphenyl-4-yl)-1-carboxyethylamino)-5-methyl-1-oxohexan-2-ylamino)-4-phenylbutanoic acid::CHEMBL1778526

SMILES: CC(C)CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O

InChI Key: InChIKey=VSYYVORPLMQOJQ-AWCRTANDSA-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 = 50344187   
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))
BDBM50344187
PNG
((S)-2-((S)-1-((S)-2-(biphenyl-4-yl)-1-carboxyethyl...)
Show SMILES CC(C)CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H38N2O5/c1-22(2)13-19-27(33-28(31(36)37)20-16-23-9-5-3-6-10-23)30(35)34-29(32(38)39)21-24-14-17-26(18-15-24)25-11-7-4-8-12-25/h3-12,14-15,17-18,22,27-29,33H,13,16,19-21H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t27-,28-,29-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/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))
BDBM50344187
PNG
((S)-2-((S)-1-((S)-2-(biphenyl-4-yl)-1-carboxyethyl...)
Show SMILES CC(C)CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H38N2O5/c1-22(2)13-19-27(33-28(31(36)37)20-16-23-9-5-3-6-10-23)30(35)34-29(32(38)39)21-24-14-17-26(18-15-24)25-11-7-4-8-12-25/h3-12,14-15,17-18,22,27-29,33H,13,16,19-21H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t27-,28-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/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