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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50313760'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50313760
PNG
(1-methyl-3-(3',4',5'-trimethoxyphenyl)-5-(4''-meth...)
Show SMILES COc1cc(cc(OC)c1OC)[C-]1CC(c2ccc(OC)c(c2)[N+]([O-])=O)[N+](C)=N1 |c:29|
Show InChI InChI=1S/C20H23N3O6/c1-22-15(12-6-7-17(26-2)16(8-12)23(24)25)11-14(21-22)13-9-18(27-3)20(29-5)19(10-13)28-4/h6-10,15H,11H2,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.13E+5n/an/an/an/an/an/a



India Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay


Bioorg Med Chem 19: 4772-81 (2011)


Article DOI: 10.1016/j.bmc.2011.06.085
BindingDB Entry DOI: 10.7270/Q27M089B
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50313760
PNG
(1-methyl-3-(3',4',5'-trimethoxyphenyl)-5-(4''-meth...)
Show SMILES COc1cc(cc(OC)c1OC)[C-]1CC(c2ccc(OC)c(c2)[N+]([O-])=O)[N+](C)=N1 |c:29|
Show InChI InChI=1S/C20H23N3O6/c1-22-15(12-6-7-17(26-2)16(8-12)23(24)25)11-14(21-22)13-9-18(27-3)20(29-5)19(10-13)28-4/h6-10,15H,11H2,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.13E+5n/an/an/an/an/an/a



University of Calabria

Curated by ChEMBL


Assay Description
Inhibition of ACE in rabbit lung assessed as decrease in dansylglycine concentration after 5 mins by HPLC analysis


Bioorg Med Chem Lett 20: 1990-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.113
BindingDB Entry DOI: 10.7270/Q2G73DW4
More data for this
Ligand-Target Pair