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BDBM50303329 (2S)-2-{[3-(3'-[1,1'-Biphenyl]-4''-yl-4',5'-dihydro-5'-isoxazolyl)-2-{[hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl)-phosphinyl]methyl}-1-oxopropyl]amino}1H-Indole-3-propanoic Acid::CHEMBL570722

SMILES: OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC1CC(=NO1)c1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=SICGILBDGWFFNA-FGIOIFSOSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50303329   
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))
BDBM50303329
PNG
((2S)-2-{[3-(3'-[1,1'-Biphenyl]-4''-yl-4',5'-dihydr...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC1CC(=NO1)c1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C46H45N4O8P/c51-44(48-42(45(52)53)26-36-28-47-40-19-11-10-18-39(36)40)37(25-38-27-41(50-58-38)35-22-20-34(21-23-35)33-16-8-3-9-17-33)30-59(55,56)43(24-31-12-4-1-5-13-31)49-46(54)57-29-32-14-6-2-7-15-32/h1-23,28,37-38,42-43,47H,24-27,29-30H2,(H,48,51)(H,49,54)(H,52,53)(H,55,56)/t37?,38?,42-,43+/m0/s1
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Article
PubMed
25n/an/an/an/an/an/an/an/a



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic ACE C-terminal domain


J Med Chem 53: 208-20 (2010)


Article DOI: 10.1021/jm9010803
BindingDB Entry DOI: 10.7270/Q2736R06
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50303329
PNG
((2S)-2-{[3-(3'-[1,1'-Biphenyl]-4''-yl-4',5'-dihydr...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC1CC(=NO1)c1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C46H45N4O8P/c51-44(48-42(45(52)53)26-36-28-47-40-19-11-10-18-39(36)40)37(25-38-27-41(50-58-38)35-22-20-34(21-23-35)33-16-8-3-9-17-33)30-59(55,56)43(24-31-12-4-1-5-13-31)49-46(54)57-29-32-14-6-2-7-15-32/h1-23,28,37-38,42-43,47H,24-27,29-30H2,(H,48,51)(H,49,54)(H,52,53)(H,55,56)/t37?,38?,42-,43+/m0/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic NEP


J Med Chem 53: 208-20 (2010)


Article DOI: 10.1021/jm9010803
BindingDB Entry DOI: 10.7270/Q2736R06
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50303329
PNG
((2S)-2-{[3-(3'-[1,1'-Biphenyl]-4''-yl-4',5'-dihydr...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC1CC(=NO1)c1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C46H45N4O8P/c51-44(48-42(45(52)53)26-36-28-47-40-19-11-10-18-39(36)40)37(25-38-27-41(50-58-38)35-22-20-34(21-23-35)33-16-8-3-9-17-33)30-59(55,56)43(24-31-12-4-1-5-13-31)49-46(54)57-29-32-14-6-2-7-15-32/h1-23,28,37-38,42-43,47H,24-27,29-30H2,(H,48,51)(H,49,54)(H,52,53)(H,55,56)/t37?,38?,42-,43+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic ECE1


J Med Chem 53: 208-20 (2010)


Article DOI: 10.1021/jm9010803
BindingDB Entry DOI: 10.7270/Q2736R06
More data for this
Ligand-Target Pair