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BDBM50190775 2-((1-((5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid::CHEMBL379563

SMILES: CCCC(CC1(CCCC1)C(=O)Nc1nnc(s1)-c1ccccc1)C(O)=O

InChI Key: InChIKey=IDVFPKOTTTXBCR-UHFFFAOYNA-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 = 50190775   
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))
BDBM50190775
PNG
(2-((1-((5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl)c...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1nnc(s1)-c1ccccc1)C(O)=O
Show InChI InChI=1/C20H25N3O3S/c1-2-8-15(17(24)25)13-20(11-6-7-12-20)18(26)21-19-23-22-16(27-19)14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3,(H,24,25)(H,21,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 283n/an/an/an/an/an/a



Pfizer Inc

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
Cholinesterases


(Homo sapiens (Human))
BDBM50190775
PNG
(2-((1-((5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl)c...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1nnc(s1)-c1ccccc1)C(O)=O
Show InChI InChI=1/C20H25N3O3S/c1-2-8-15(17(24)25)13-20(11-6-7-12-20)18(26)21-19-23-22-16(27-19)14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3,(H,24,25)(H,21,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Pfizer Inc

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