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BDBM50283648 (S)-2-[(S)-3-Methyl-2-(phosphonomethyl-amino)-butyrylamino]-4-phenyl-butyric acid::CHEMBL93562

SMILES: CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](CCc1ccccc1)C(O)=O

InChI Key: InChIKey=SJZKJUPLQDZQPD-KBPBESRZSA-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 = 50283648   
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
ACEI-ACE2


(Homo sapiens (Human))
BDBM50283648
PNG
((S)-2-[(S)-3-Methyl-2-(phosphonomethyl-amino)-buty...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H25N2O6P/c1-11(2)14(17-10-25(22,23)24)15(19)18-13(16(20)21)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,18,19)(H,20,21)(H2,22,23,24)/t13-,14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283648
PNG
((S)-2-[(S)-3-Methyl-2-(phosphonomethyl-amino)-buty...)
Show SMILES CC(C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H25N2O6P/c1-11(2)14(17-10-25(22,23)24)15(19)18-13(16(20)21)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,18,19)(H,20,21)(H2,22,23,24)/t13-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)


Article DOI: 10.1016/S0960-894X(01)80703-4
BindingDB Entry DOI: 10.7270/Q2SB467B
More data for this
Ligand-Target Pair