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SMILES: COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1

InChI Key: InChIKey=QLCPDIVEFVTPQJ-MRXNPFEDSA-N

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 3 hits for monomerid = 130359   
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
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130359
PNG
(US8822534, Example 5-39 | US8993631, 5-8)
Show SMILES COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C21H22ClNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)


BindingDB Entry DOI: 10.7270/Q2513WW2
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM130359
PNG
(US8822534, Example 5-39 | US8993631, 5-8)
Show SMILES COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C21H22ClNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.380n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...


ACS Med Chem Lett 11: 188-194 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00578
More data for this
Ligand-Target Pair
Membrane metallo-endopeptidase-like 1


(Homo sapiens (Human))
BDBM130359
PNG
(US8822534, Example 5-39 | US8993631, 5-8)
Show SMILES COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C21H22ClNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)


BindingDB Entry DOI: 10.7270/Q20C4THK
More data for this
Ligand-Target Pair