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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50213683   
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 E synthase


(Homo sapiens (Human))
BDBM50213683
PNG
(CHEMBL218693 | carnosol)
Show SMILES CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)c2c(O)c1O |r|
Show InChI InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Abdul Wali Khan University Mardan

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substrate pretreated for 15 mins followed by substrate addition and measure...


Eur J Med Chem 153: 2-28 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.059
BindingDB Entry DOI: 10.7270/Q22R3V7F
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50213683
PNG
(CHEMBL218693 | carnosol)
Show SMILES CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)c2c(O)c1O |r|
Show InChI InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
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Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of pancreatic lipase


Bioorg Med Chem 15: 4674-99 (2007)


Article DOI: 10.1016/j.bmc.2007.04.031
BindingDB Entry DOI: 10.7270/Q24J0FZ9
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50213683
PNG
(CHEMBL218693 | carnosol)
Show SMILES CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)c2c(O)c1O |r|
Show InChI InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
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Article
PubMed
n/an/a 1.33E+4n/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...


J Med Chem 62: 10867-10896 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01405
BindingDB Entry DOI: 10.7270/Q2Z03CNH
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50213683
PNG
(CHEMBL218693 | carnosol)
Show SMILES CC(C)c1cc2[C@@H]3C[C@H]4C(C)(C)CCC[C@]4(C(=O)O3)c2c(O)c1O |r|
Show InChI InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
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CHEMBL
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Article
PubMed
n/an/a 1.33E+4n/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...


J Med Chem 62: 10867-10896 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01405
BindingDB Entry DOI: 10.7270/Q2Z03CNH
More data for this
Ligand-Target Pair