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BDBM50197513 (S)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl)carbamoyl)cyclopentyl)methyl)-4-methoxybutanoic acid::CHEMBL225084

SMILES: COCC[C@H](CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O

InChI Key: InChIKey=GQXPQLZHUYKTKG-GOSISDBHSA-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 = 50197513   
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
Neprilysin


(Homo sapiens (Human))
BDBM50197513
PNG
((S)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden...)
Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O
Show InChI InChI=1S/C22H31NO5/c1-28-11-8-18(19(25)26)12-21(9-4-5-10-21)20(27)23-22(15-24)13-16-6-2-3-7-17(16)14-22/h2-3,6-7,18,24H,4-5,8-15H2,1H3,(H,23,27)(H,25,26)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/a7.4n/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human kidney NEP at pH 7.4


Bioorg Med Chem 15: 142-59 (2006)


Article DOI: 10.1016/j.bmc.2006.10.002
BindingDB Entry DOI: 10.7270/Q2ZS2W4J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50197513
PNG
((S)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden...)
Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O
Show InChI InChI=1S/C22H31NO5/c1-28-11-8-18(19(25)26)12-21(9-4-5-10-21)20(27)23-22(15-24)13-16-6-2-3-7-17(16)14-22/h2-3,6-7,18,24H,4-5,8-15H2,1H3,(H,23,27)(H,25,26)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.70n/an/an/an/a7.0n/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human kidney NEP at pH 7


Bioorg Med Chem 15: 142-59 (2006)


Article DOI: 10.1016/j.bmc.2006.10.002
BindingDB Entry DOI: 10.7270/Q2ZS2W4J
More data for this
Ligand-Target Pair