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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'barthel' and Initial = 'r'   
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
7-dehydrocholesterol reductase


(Homo sapiens (Human))
BDBM50396754
PNG
(CHEMBL2172347)
Show SMILES COc1cc2CN(CCc3ccc(Cl)cc3)CCc2cc1O
Show InChI InChI=1S/C18H20ClNO2/c1-22-18-11-15-12-20(9-7-14(15)10-17(18)21)8-6-13-2-4-16(19)5-3-13/h2-5,10-11,21H,6-9,12H2,1H3
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Article
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n/an/a 2.30n/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2...


J Med Chem 55: 7614-22 (2012)


Article DOI: 10.1021/jm3006096
BindingDB Entry DOI: 10.7270/Q2W95B9V
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Homo sapiens (Human))
BDBM50396753
PNG
(CHEMBL2172349)
Show SMILES COc1cccc(CCN2CCc3cc(O)c(OC)cc3C2)c1
Show InChI InChI=1S/C19H23NO3/c1-22-17-5-3-4-14(10-17)6-8-20-9-7-15-11-18(21)19(23-2)12-16(15)13-20/h3-5,10-12,21H,6-9,13H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2...


J Med Chem 55: 7614-22 (2012)


Article DOI: 10.1021/jm3006096
BindingDB Entry DOI: 10.7270/Q2W95B9V
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Homo sapiens (Human))
BDBM50170646
PNG
(4-(2-{4-[(E)-3-(4-Chloro-phenyl)-allyl]-piperazin-...)
Show SMILES OC(=O)c1ccc(CCN2CCN(C\C=C\c3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C22H25ClN2O2/c23-21-9-5-18(6-10-21)2-1-12-24-14-16-25(17-15-24)13-11-19-3-7-20(8-4-19)22(26)27/h1-10H,11-17H2,(H,26,27)/b2-1+
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MCE
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n/an/a 500n/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2...


J Med Chem 55: 7614-22 (2012)


Article DOI: 10.1021/jm3006096
BindingDB Entry DOI: 10.7270/Q2W95B9V
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Homo sapiens (Human))
BDBM50396752
PNG
(CHEMBL2172350)
Show SMILES COc1ccc(CCN2CCc3cc(O)c(OC)cc3C2)cc1OC
Show InChI InChI=1S/C20H25NO4/c1-23-18-5-4-14(10-20(18)25-3)6-8-21-9-7-15-11-17(22)19(24-2)12-16(15)13-21/h4-5,10-12,22H,6-9,13H2,1-3H3
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PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2...


J Med Chem 55: 7614-22 (2012)


Article DOI: 10.1021/jm3006096
BindingDB Entry DOI: 10.7270/Q2W95B9V
More data for this
Ligand-Target Pair