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BDBM50190763 3-(1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl)cyclopentyl)propanoic acid::CHEMBL212001

SMILES: CCc1nnc(NC(=O)C2(CCC(O)=O)CCCC2)s1

InChI Key: InChIKey=RRBLRNOIQXSNCM-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 = 50190763   
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))
BDBM50190763
PNG
(3-(1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl)cyc...)
Show SMILES CCc1nnc(NC(=O)C2(CCC(O)=O)CCCC2)s1
Show InChI InChI=1S/C13H19N3O3S/c1-2-9-15-16-12(20-9)14-11(19)13(6-3-4-7-13)8-5-10(17)18/h2-8H2,1H3,(H,17,18)(H,14,16,19)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 237n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50190763
PNG
(3-(1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl)cyc...)
Show SMILES CCc1nnc(NC(=O)C2(CCC(O)=O)CCCC2)s1
Show InChI InChI=1S/C13H19N3O3S/c1-2-9-15-16-12(20-9)14-11(19)13(6-3-4-7-13)8-5-10(17)18/h2-8H2,1H3,(H,17,18)(H,14,16,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog ACE


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair