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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50016799   
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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50016799
PNG
((1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol...)
Show SMILES CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12
Show InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of TXB2 production by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50016799
PNG
((1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol...)
Show SMILES CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12
Show InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
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Article
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n/an/a 1.03E+4n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
BDBM50016799
PNG
((1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol...)
Show SMILES CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12
Show InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
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PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells


J Pharmacol Exp Ther 295: 10-5 (2000)


BindingDB Entry DOI: 10.7270/Q2TB186W
More data for this
Ligand-Target Pair