BindingDB logo
myBDB logout

BDBM50403299 CHEMBL305050

SMILES: OC(=O)CN1[C@H](SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O)c1ccccc1

InChI Key: InChIKey=ZRXYQWSANXCOEH-KGVIQGDOSA-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 = 50403299   
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
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50403299
PNG
(CHEMBL305050)
Show SMILES OC(=O)CN1[C@H](SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S2/c25-19(26)12-24-21(28)18(14-30-22(24)16-9-5-2-6-10-16)23-20(27)17(13-29)11-15-7-3-1-4-8-15/h1-10,17-18,22,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18+,22-/m1/s1
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 167n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin converting enzyme isolated from rat lung.


Bioorg Med Chem Lett 4: 2193-2198 (1994)


Article DOI: 10.1016/S0960-894X(00)80070-0
BindingDB Entry DOI: 10.7270/Q2F47Q9D
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50403299
PNG
(CHEMBL305050)
Show SMILES OC(=O)CN1[C@H](SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S2/c25-19(26)12-24-21(28)18(14-30-22(24)16-9-5-2-6-10-16)23-20(27)17(13-29)11-15-7-3-1-4-8-15/h1-10,17-18,22,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18+,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.


Bioorg Med Chem Lett 4: 2193-2198 (1994)


Article DOI: 10.1016/S0960-894X(00)80070-0
BindingDB Entry DOI: 10.7270/Q2F47Q9D
More data for this
Ligand-Target Pair