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BDBM50411608 CHEMBL400527

SMILES: CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O

InChI Key: InChIKey=ASOTUXAPLNMLBP-DQYPLSBCSA-N

Data: 2 KI

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 = 50411608   
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))
BDBM50411608
PNG
(CHEMBL400527)
Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C19H23NO3S/c1-3-12(2)17(24)18(21)20-16(19(22)23)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,16-17,24H,3,11H2,1-2H3,(H,20,21)(H,22,23)/t12-,16+,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 1681-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.046
BindingDB Entry DOI: 10.7270/Q29K49Z2
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Homo sapiens (Human))
BDBM50411608
PNG
(CHEMBL400527)
Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C19H23NO3S/c1-3-12(2)17(24)18(21)20-16(19(22)23)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,16-17,24H,3,11H2,1-2H3,(H,20,21)(H,22,23)/t12-,16+,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CpA by fluorescence assay


Bioorg Med Chem Lett 18: 1681-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.046
BindingDB Entry DOI: 10.7270/Q29K49Z2
More data for this
Ligand-Target Pair