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BDBM50396556 CHEMBL2171398

SMILES: Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F

InChI Key: InChIKey=HEVPKOFLFHIHOI-IBGZPJMESA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50396556   
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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50396556
PNG
(CHEMBL2171398)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F
Show InChI InChI=1S/C24H24FN3O4/c1-15-6-2-3-7-17(15)19(13-23(29)30)26-24(31)20-12-22(32-14-16-10-11-16)28(27-20)21-9-5-4-8-18(21)25/h2-9,12,16,19H,10-11,13-14H2,1H3,(H,26,31)(H,29,30)/t19-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50396556
PNG
(CHEMBL2171398)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F
Show InChI InChI=1S/C24H24FN3O4/c1-15-6-2-3-7-17(15)19(13-23(29)30)26-24(31)20-12-22(32-14-16-10-11-16)28(27-20)21-9-5-4-8-18(21)25/h2-9,12,16,19H,10-11,13-14H2,1H3,(H,26,31)(H,29,30)/t19-/m0/s1
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Mca-RPPGFSAFK(Dnp)-OH as substrate incubated for 15 mins prior to substrate addition measured after 20 to 3...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396556
PNG
(CHEMBL2171398)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F
Show InChI InChI=1S/C24H24FN3O4/c1-15-6-2-3-7-17(15)19(13-23(29)30)26-24(31)20-12-22(32-14-16-10-11-16)28(27-20)21-9-5-4-8-18(21)25/h2-9,12,16,19H,10-11,13-14H2,1H3,(H,26,31)(H,29,30)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair