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BDBM50403257 CHEMBL51438

SMILES: OC(=O)CCN1c2ccccc2CC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O

InChI Key: InChIKey=QHBPFNHEJJZWMW-MOPGFXCFSA-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 = 50403257   
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


(Homo sapiens (Human))
BDBM50403257
PNG
(CHEMBL51438)
Show SMILES OC(=O)CCN1c2ccccc2CC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C23H26N2O4S/c26-21(27)12-13-25-20-9-5-4-8-17(20)10-11-19(23(25)29)24-22(28)18(15-30)14-16-6-2-1-3-7-16/h1-9,18-19,30H,10-15H2,(H,24,28)(H,26,27)/t18-,19+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 36n/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
Neprilysin


(Homo sapiens (Human))
BDBM50403257
PNG
(CHEMBL51438)
Show SMILES OC(=O)CCN1c2ccccc2CC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C23H26N2O4S/c26-21(27)12-13-25-20-9-5-4-8-17(20)10-11-19(23(25)29)24-22(28)18(15-30)14-16-6-2-1-3-7-16/h1-9,18-19,30H,10-15H2,(H,24,28)(H,26,27)/t18-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.70n/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