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Compile Data Set for Download or QSAR

Found 3 hits of ec50 data for polymerid = 2224,3610   
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
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50437696
PNG
(CHEMBL2408677)
Show SMILES CC(=O)O[C@@H]1Cc2c(OC(C)=O)cc(OC(C)=O)cc2O[C@@H]1c1ccc(OC(C)=O)c(OC(C)=O)c1 |r|
Show InChI InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25-/m1/s1
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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00600n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of eNOS in BCAEC assessed as increase in nitric oxide level after 10 mins by fluorometric analysis


Bioorg Med Chem Lett 23: 4441-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.079
BindingDB Entry DOI: 10.7270/Q2P84D93
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50437697
PNG
(CHEMBL2408678)
Show SMILES CCOc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O |r|
Show InChI InChI=1S/C17H18O6/c1-2-22-16-5-9(3-4-12(16)19)17-14(21)8-11-13(20)6-10(18)7-15(11)23-17/h3-7,14,17-21H,2,8H2,1H3/t14-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of eNOS in BCAEC assessed as increase in nitric oxide level after 10 mins by fluorometric analysis


Bioorg Med Chem Lett 23: 4441-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.079
BindingDB Entry DOI: 10.7270/Q2P84D93
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of eNOS in BCAEC assessed as increase in nitric oxide level after 10 mins by fluorometric analysis


Bioorg Med Chem Lett 23: 4441-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.079
BindingDB Entry DOI: 10.7270/Q2P84D93
More data for this
Ligand-Target Pair