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Compile Data Set for Download or QSAR

Found 9 hits of ic50 data for polymerid = 50006939   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50128343
PNG
(CHEMBL3629176)
Show SMILES N\C(=N/O)c1ccc(OCCCCC(=O)Nc2ccc3oc(Nc4ccccc4)nc3c2)cc1
Show InChI InChI=1S/C25H25N5O4/c26-24(30-32)17-9-12-20(13-10-17)33-15-5-4-8-23(31)27-19-11-14-22-21(16-19)29-25(34-22)28-18-6-2-1-3-7-18/h1-3,6-7,9-14,16,32H,4-5,8,15H2,(H2,26,30)(H,27,31)(H,28,29)
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n/an/a 560n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50128344
PNG
(CHEMBL3629177)
Show SMILES COc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
Show InChI InChI=1S/C26H27N5O5/c1-34-20-12-7-18(8-13-20)29-26-30-22-16-19(9-14-23(22)36-26)28-24(32)4-2-3-15-35-21-10-5-17(6-11-21)25(27)31-33/h5-14,16,33H,2-4,15H2,1H3,(H2,27,31)(H,28,32)(H,29,30)
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n/an/a 580n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50128235
PNG
(CHEMBL3628709)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)C(\C)=C\CCCC#C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CC |r|
Show InChI InChI=1S/C47H78N6O7/c1-16-20-21-22-25-34(11)42(55)50(14)40(32(9)17-2)46(59)51(15)41(33(10)18-3)45(58)48(12)38(30(5)6)44(57)49(13)39(31(7)8)47(60)53-29-24-27-36(53)43(56)52-28-23-26-35(52)37(54)19-4/h1,25,30-33,35-36,38-41H,17-24,26-29H2,2-15H3/b34-25+/t32-,33-,35-,36-,38-,39-,40-,41-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of M-CSF/sRANKL-induced mouse BMDM differentiation into osteoclast after 72 hrs by TRAP staining-based microscopic analysis


Bioorg Med Chem Lett 25: 5295-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.044
BindingDB Entry DOI: 10.7270/Q2GX4DCP
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50128342
PNG
(CHEMBL3629175)
Show SMILES CCc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
Show InChI InChI=1S/C27H29N5O4/c1-2-18-6-10-20(11-7-18)30-27-31-23-17-21(12-15-24(23)36-27)29-25(33)5-3-4-16-35-22-13-8-19(9-14-22)26(28)32-34/h6-15,17,34H,2-5,16H2,1H3,(H2,28,32)(H,29,33)(H,30,31)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50108929
PNG
(CHEMBL3596956)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2oc(=O)n(-c3cccc(c3)C#C)c(=O)c2c1
Show InChI InChI=1S/C22H11F2NO3/c1-2-13-4-3-5-16(10-13)25-21(26)18-11-14(6-9-20(18)28-22(25)27)17-8-7-15(23)12-19(17)24/h1,3-12H
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n/an/a 3.70E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse RANKL-induced TRAP activity in mouse RAW264.7 cells using 4-nitrophenyl phosphate as TRAP substrate preincubated for ...


Bioorg Med Chem 23: 4522-32 (2015)


Article DOI: 10.1016/j.bmc.2015.06.007
BindingDB Entry DOI: 10.7270/Q2V126KK
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50108928
PNG
(CHEMBL3596954)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2oc(=O)n(-c3cccc(c3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C21H10F5NO3/c22-13-5-6-15(17(23)10-13)11-4-7-18-16(8-11)19(28)27(20(29)30-18)14-3-1-2-12(9-14)21(24,25)26/h1-10H
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n/an/a 4.29E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse RANKL-induced TRAP activity in mouse RAW264.7 cells using 4-nitrophenyl phosphate as TRAP substrate preincubated for ...


Bioorg Med Chem 23: 4522-32 (2015)


Article DOI: 10.1016/j.bmc.2015.06.007
BindingDB Entry DOI: 10.7270/Q2V126KK
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50108927
PNG
(CHEMBL3596952)
Show SMILES Fc1ccc(c(F)c1)-c1ccc2oc(=O)n(-c3cc(F)ccc3F)c(=O)c2c1 |(7.73,-3.69,;6.67,-3.07,;6.66,-1.53,;5.33,-.77,;4,-1.54,;4,-3.08,;2.93,-3.7,;5.33,-3.85,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;-2.68,-.77,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.54,;-7.75,-.92,;-6.68,-3.08,;-5.35,-3.85,;-4.01,-3.08,;-2.95,-3.7,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,)|
Show InChI InChI=1S/C20H9F4NO3/c21-11-2-4-13(16(24)8-11)10-1-6-18-14(7-10)19(26)25(20(27)28-18)17-9-12(22)3-5-15(17)23/h1-9H
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n/an/a 4.31E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse RANKL-induced TRAP activity in mouse RAW264.7 cells using 4-nitrophenyl phosphate as TRAP substrate preincubated for ...


Bioorg Med Chem 23: 4522-32 (2015)


Article DOI: 10.1016/j.bmc.2015.06.007
BindingDB Entry DOI: 10.7270/Q2V126KK
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50108930
PNG
(CHEMBL3335186)
Show SMILES Fc1cc(Cl)ccc1-n1c(=O)oc2ccccc2c1=O |(22.73,-16.85,;22.73,-15.31,;24.06,-14.54,;24.05,-13,;25.38,-12.22,;22.71,-12.23,;21.38,-13.01,;21.4,-14.54,;20.07,-15.31,;20.07,-16.87,;21.4,-17.64,;18.74,-17.64,;17.4,-16.87,;16.07,-17.64,;14.73,-16.87,;14.74,-15.33,;16.06,-14.56,;17.4,-15.32,;18.73,-14.55,;18.73,-13.01,)|
Show InChI InChI=1S/C14H7ClFNO3/c15-8-5-6-11(10(16)7-8)17-13(18)9-3-1-2-4-12(9)20-14(17)19/h1-7H
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n/an/a 1.06E+4n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse RANKL-induced TRAP activity in mouse RAW264.7 cells using 4-nitrophenyl phosphate as TRAP substrate preincubated for ...


Bioorg Med Chem 23: 4522-32 (2015)


Article DOI: 10.1016/j.bmc.2015.06.007
BindingDB Entry DOI: 10.7270/Q2V126KK
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair