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Compile Data Set for Download or QSAR

Found 8 hits of ic50 data for polymerid = 50001269,50003080   
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
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430553
PNG
(CHEMBL2336919)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)CCCC=C
Show InChI InChI=1S/C25H47NO/c1-8-9-10-18-26(7)22-15-17-24(5)21(14-16-25(24,6)23(22)27)20(4)13-11-12-19(2)3/h8,19-23,27H,1,9-18H2,2-7H3/t20-,21-,22+,23+,24-,25+/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430556
PNG
(CHEMBL2336934)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)Cc1ccccc1
Show InChI InChI=1S/C27H45NO/c1-20(2)11-10-12-21(3)23-15-17-27(5)25(29)24(16-18-26(23,27)4)28(6)19-22-13-8-7-9-14-22/h7-9,13-14,20-21,23-25,29H,10-12,15-19H2,1-6H3/t21-,23-,24+,25+,26-,27+/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430558
PNG
(CHEMBL2336925)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)NCc1ccccc1
Show InChI InChI=1S/C26H43NO/c1-19(2)10-9-11-20(3)22-14-16-26(5)24(28)23(15-17-25(22,26)4)27-18-21-12-7-6-8-13-21/h6-8,12-13,19-20,22-24,27-28H,9-11,14-18H2,1-5H3/t20-,22-,23+,24+,25-,26+/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430559
PNG
(CHEMBL2337344)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H](N)CC[C@]12C
Show InChI InChI=1S/C19H37NO/c1-13(2)7-6-8-14(3)15-9-11-19(5)17(21)16(20)10-12-18(15,19)4/h13-17,21H,6-12,20H2,1-5H3/t14-,15-,16+,17+,18-,19+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430557
PNG
(CHEMBL2336928)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)NCCCC=C
Show InChI InChI=1S/C24H45NO/c1-7-8-9-17-25-21-14-16-23(5)20(13-15-24(23,6)22(21)26)19(4)12-10-11-18(2)3/h7,18-22,25-26H,1,8-17H2,2-6H3/t19-,20-,21+,22+,23-,24+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430560
PNG
(CHEMBL2336940)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(C)C
Show InChI InChI=1S/C21H41NO/c1-15(2)9-8-10-16(3)17-11-13-21(5)19(23)18(22(6)7)12-14-20(17,21)4/h15-19,23H,8-14H2,1-7H3/t16-,17-,18+,19+,20-,21+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430554
PNG
(CHEMBL2336918)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(CCCC=C)Cc1ccccc1
Show InChI InChI=1S/C31H51NO/c1-7-8-12-22-32(23-26-16-10-9-11-17-26)28-19-21-30(5)27(18-20-31(30,6)29(28)33)25(4)15-13-14-24(2)3/h7,9-11,16-17,24-25,27-29,33H,1,8,12-15,18-23H2,2-6H3/t25-,27-,28+,29+,30-,31+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50430555
PNG
(CHEMBL2336917)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@H](CC[C@]12C)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C33H49NO/c1-25(2)13-12-14-26(3)29-19-21-33(5)31(35)30(20-22-32(29,33)4)34(23-27-15-8-6-9-16-27)24-28-17-10-7-11-18-28/h6-11,15-18,25-26,29-31,35H,12-14,19-24H2,1-5H3/t26-,29-,30+,31+,32-,33+/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Ludwig-Maximilians University

Curated by ChEMBL


Assay Description
Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation


Bioorg Med Chem 21: 1925-43 (2013)


Article DOI: 10.1016/j.bmc.2013.01.041
BindingDB Entry DOI: 10.7270/Q2SJ1N0H
More data for this
Ligand-Target Pair