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BDBM50403251 CHEMBL299441

SMILES: OC(=O)CCN1c2ccccc2SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O

InChI Key: InChIKey=GBKMVBCTZCVKSV-RDJZCZTQSA-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 = 50403251   
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))
BDBM50403251
PNG
(CHEMBL299441)
Show SMILES OC(=O)CCN1c2ccccc2SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)10-11-23-16-8-4-5-9-18(16)29-13-15(21(23)27)22-20(26)17(28)12-14-6-2-1-3-7-14/h1-9,15,17,28H,10-13H2,(H,22,26)(H,24,25)/t15-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403251
PNG
(CHEMBL299441)
Show SMILES OC(=O)CCN1c2ccccc2SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)10-11-23-16-8-4-5-9-18(16)29-13-15(21(23)27)22-20(26)17(28)12-14-6-2-1-3-7-14/h1-9,15,17,28H,10-13H2,(H,22,26)(H,24,25)/t15-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair