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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor ligand superfamily member 11'   
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
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


(Homo sapiens)		BDBM50373071
PNG
(CHEMBL255489)
Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
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


(Homo sapiens)		BDBM50547339
PNG
(CHEMBL4760595)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cc(C(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc12
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547333
PNG
(CHEMBL3742191)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(-c2cccc(c2)[N+]([O-])=O)c2ccccc12
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n/an/a 1.88E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547338
PNG
(CHEMBL4797434)
Show SMILES CN(CCN(C)S(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547337
PNG
(CHEMBL4750116)
Show SMILES CN(CCN(C)S(=O)(=O)c1ccc(cc1)C#N)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547332
PNG
(CHEMBL4756975)
Show SMILES CN(CCN(C)Cc1coc2ccccc2c1=O)Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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n/an/a 2.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547336
PNG
(CHEMBL4745590)
Show SMILES CN(CCN(C)S(=O)(=O)c1ccccc1)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547334
PNG
(CHEMBL3741720)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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n/an/a 2.86E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
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


(Homo sapiens)		BDBM50547335
PNG
(CHEMBL3741275)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
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n/an/a 5.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547340
PNG
(CHEMBL4752672)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cc(C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C#N)c2ccccc12
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n/an/a 5.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547341
PNG
(CHEMBL4745373)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
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n/an/a 6.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
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
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50525148
PNG
(CHEMBL1978769)
Show SMILES Cc1cccc(C)c1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-18-9-8-10-19(2)25(18)30-26(31)24(15-21-16-28-23-14-7-6-13-22(21)23)29-27(32)33-17-20-11-4-3-5-12-20/h3-14,16,24,28H,15,17H2,1-2H3,(H,29,32)(H,30,31)
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n/an/a 2.62E+4n/an/an/an/an/an/a



Shanghai Jiaotong University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RANK binding to human RANKL measured after 1 h by surface plasmon resonance analysis

J Med Chem 62: 5370-5381 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02027
BindingDB Entry DOI: 10.7270/Q21R6TZ8
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50525150
PNG
(CHEMBL4469489)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C67H96N14O18S2/c1-7-36(5)54-64(96)73-44(24-26-52(84)85)57(89)76-48(31-38-13-10-9-11-14-38)60(92)79-51(34-101-100-33-50(62(94)72-45(58(90)80-54)25-27-53(86)87)78-56(88)43(68)30-39-16-20-41(82)21-17-39)63(95)77-49(32-40-18-22-42(83)23-19-40)59(91)75-47(29-35(3)4)61(93)81-55(37(6)8-2)65(97)74-46(66(98)99)15-12-28-71-67(69)70/h9-11,13-14,16-23,35-37,43-51,54-55,82-83H,7-8,12,15,24-34,68H2,1-6H3,(H,72,94)(H,73,96)(H,74,97)(H,75,91)(H,76,89)(H,77,95)(H,78,88)(H,79,92)(H,80,90)(H,81,93)(H,84,85)(H,86,87)(H,98,99)(H4,69,70,71)/t36-,37-,43-,44-,45-,46-,47+,48+,49-,50-,51-,54-,55-/m0/s1
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n/an/an/a 2.84E+5n/an/an/an/an/a



Shanghai Jiaotong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human RANKL by surface plasmon resonance analysis

J Med Chem 62: 5370-5381 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02027
BindingDB Entry DOI: 10.7270/Q21R6TZ8
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50525153
PNG
(CHEMBL4560856)
Show SMILES Cc1cccc(C)c1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C28H29N3O2/c1-19-9-8-10-20(2)27(19)31-28(33)25(17-22-18-29-24-14-7-6-13-23(22)24)30-26(32)16-15-21-11-4-3-5-12-21/h3-14,18,25,29H,15-17H2,1-2H3,(H,30,32)(H,31,33)
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n/an/an/a 2.70E+3n/an/an/an/an/a



Shanghai Jiaotong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human RANKL by surface plasmon resonance analysis

J Med Chem 62: 5370-5381 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02027
BindingDB Entry DOI: 10.7270/Q21R6TZ8
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)		BDBM50525146
PNG
(CHEMBL4462272)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C69H95N21O22S4/c70-38(21-32-9-13-35(92)14-10-32)55(99)89-50-30-115-116-31-51(66(110)82-43(22-33-11-15-36(93)16-12-33)58(102)79-40(7-3-19-76-68(72)73)56(100)81-42(67(111)112)8-4-20-77-69(74)75)90-64(108)49(29-114)87-57(101)41(17-18-53(95)96)80-63(107)48(28-113)88-61(105)46(25-54(97)98)85-62(106)47(27-91)86-60(104)45(24-52(71)94)84-59(103)44(83-65(50)109)23-34-26-78-39-6-2-1-5-37(34)39/h1-2,5-6,9-16,26,38,40-51,78,91-93,113-114H,3-4,7-8,17-25,27-31,70H2,(H2,71,94)(H,79,102)(H,80,107)(H,81,100)(H,82,110)(H,83,109)(H,84,103)(H,85,106)(H,86,104)(H,87,101)(H,88,105)(H,89,99)(H,90,108)(H,95,96)(H,97,98)(H,111,112)(H4,72,73,76)(H4,74,75,77)/t38-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49-,50-,51-/m0/s1
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n/an/an/a 1.73E+4n/an/an/an/an/a



Shanghai Jiaotong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to mouse N-terminal His6-Trx-tagged RANKL ectodomain (157 to 316 residues) expressed in Escherichia coli BL21 (DE3) by isothermal ti...

J Med Chem 62: 5370-5381 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02027
BindingDB Entry DOI: 10.7270/Q21R6TZ8
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50525145
PNG
(CHEMBL4454307)
Show SMILES Cc1cccc(C)c1NC(=O)C(Cc1c[nH]c2cc(F)ccc12)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C28H28FN3O2/c1-18-7-6-8-19(2)27(18)32-28(34)25(31-26(33)14-11-20-9-4-3-5-10-20)15-21-17-30-24-16-22(29)12-13-23(21)24/h3-10,12-13,16-17,25,30H,11,14-15H2,1-2H3,(H,31,33)(H,32,34)
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n/an/an/a 3.50E+3n/an/an/an/an/a



Shanghai Jiaotong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human RANKL by surface plasmon resonance analysis

J Med Chem 62: 5370-5381 (2019)


Article DOI: 10.1021/acs.jmedchem.8b02027
BindingDB Entry DOI: 10.7270/Q21R6TZ8
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50291910
PNG
(CHEMBL4172400)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(C)=O |r|
Show InChI InChI=1S/C73H112N18O21S2/c1-8-40(6)60-72(112)85-48(24-27-58(97)98)65(105)89-52(33-42-15-10-9-11-16-42)69(109)90-55(71(111)86-50(61(75)101)31-38(2)3)37-114-113-36-54(80-41(7)92)70(110)82-46(17-12-13-29-74)64(104)83-47(23-26-57(95)96)62(102)79-35-56(94)81-45(18-14-30-78-73(76)77)63(103)88-53(34-43-19-21-44(93)22-20-43)68(108)87-51(32-39(4)5)67(107)84-49(66(106)91-60)25-28-59(99)100/h9-11,15-16,19-22,38-40,45-55,60,93H,8,12-14,17-18,23-37,74H2,1-7H3,(H2,75,101)(H,79,102)(H,80,92)(H,81,94)(H,82,110)(H,83,104)(H,84,107)(H,85,112)(H,86,111)(H,87,108)(H,88,103)(H,89,105)(H,90,109)(H,91,106)(H,95,96)(H,97,98)(H,99,100)(H4,76,77,78)/t40-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1
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n/an/an/a 3.09E+4n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human sRANKL expressed in Escherichia coli by SPR assay

Eur J Med Chem 145: 661-672 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.022
BindingDB Entry DOI: 10.7270/Q2DN47MC
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50291909
PNG
(CHEMBL4161101)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)NC(C)=O |r|
Show InChI InChI=1S/C85H131N21O28S2/c1-9-43(6)67-83(133)98-52(25-28-65(115)116)75(125)102-56(34-46-16-11-10-12-17-46)79(129)103-60(82(132)99-54(71(87)121)32-41(2)3)40-136-135-39-59(104-80(130)58(92-44(7)108)36-62(111)105-84-68(93-45(8)109)70(120)69(119)61(38-107)134-84)81(131)95-50(18-13-14-30-86)74(124)96-51(24-27-64(113)114)72(122)91-37-63(112)94-49(19-15-31-90-85(88)89)73(123)101-57(35-47-20-22-48(110)23-21-47)78(128)100-55(33-42(4)5)77(127)97-53(76(126)106-67)26-29-66(117)118/h10-12,16-17,20-23,41-43,49-61,67-70,84,107,110,119-120H,9,13-15,18-19,24-40,86H2,1-8H3,(H2,87,121)(H,91,122)(H,92,108)(H,93,109)(H,94,112)(H,95,131)(H,96,124)(H,97,127)(H,98,133)(H,99,132)(H,100,128)(H,101,123)(H,102,125)(H,103,129)(H,104,130)(H,105,111)(H,106,126)(H,113,114)(H,115,116)(H,117,118)(H4,88,89,90)/t43-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,67-,68+,69+,70+,84+/m0/s1
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n/an/an/a 4.54E+3n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human sRANKL expressed in Escherichia coli by SPR assay

Eur J Med Chem 145: 661-672 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.022
BindingDB Entry DOI: 10.7270/Q2DN47MC
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50291908
PNG
(CHEMBL4165601)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C67H96N14O18S2/c1-7-36(5)54-64(96)73-44(24-26-52(84)85)57(89)76-48(31-38-13-10-9-11-14-38)60(92)79-51(34-101-100-33-50(62(94)72-45(58(90)80-54)25-27-53(86)87)78-56(88)43(68)30-39-16-20-41(82)21-17-39)63(95)77-49(32-40-18-22-42(83)23-19-40)59(91)75-47(29-35(3)4)61(93)81-55(37(6)8-2)65(97)74-46(66(98)99)15-12-28-71-67(69)70/h9-11,13-14,16-23,35-37,43-51,54-55,82-83H,7-8,12,15,24-34,68H2,1-6H3,(H,72,94)(H,73,96)(H,74,97)(H,75,91)(H,76,89)(H,77,95)(H,78,88)(H,79,92)(H,80,90)(H,81,93)(H,84,85)(H,86,87)(H,98,99)(H4,69,70,71)/t36-,37-,43-,44-,45-,46-,47-,48-,49-,50-,51-,54-,55-/m0/s1
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n/an/an/a 2.75E+3n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human sRANKL expressed in Escherichia coli by SPR assay

Eur J Med Chem 145: 661-672 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.022
BindingDB Entry DOI: 10.7270/Q2DN47MC
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50594513
PNG
(CHEMBL5187481)
Show SMILES Cc1cccc(C)c1NC(=O)c1cc2c3ccccc3[nH]c2c(CCc2ccccc2)n1
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n/an/an/a 5.03E+3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00081
BindingDB Entry DOI: 10.7270/Q2JH3R57
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50373071
PNG
(CHEMBL255489)
Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3
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n/an/an/a 1.38E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547342
PNG
(CHEMBL4794699)
Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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n/an/an/a 8.71E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547332
PNG
(CHEMBL4756975)
Show SMILES CN(CCN(C)Cc1coc2ccccc2c1=O)Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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n/an/an/a 5.24E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547343
PNG
(CHEMBL4787527)
Show SMILES CN(CCN(C)Cc1coc2cc(C)ccc2c1=O)Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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n/an/an/a 4.90E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547344
PNG
(CHEMBL4783826)
Show SMILES CN(CCN(C)Cc1coc2ccc(C)cc2c1=O)Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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n/an/an/a 6.62E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547345
PNG
(CHEMBL3741761)
Show SMILES Cc1cc2occ(CN3CCN(Cc4cn(-c5cccc(c5)C(F)(F)F)c5ccccc45)CC3)c(=O)c2cc1C
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n/an/an/a>1.00E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547346
PNG
(CHEMBL3741215)
Show SMILES Cc1ccc2occ(CN3CCN(Cc4cn(-c5cccc(c5)C(F)(F)F)c5ccccc45)CC3)c(=O)c2c1
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n/an/an/a>1.10E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547347
PNG
(CHEMBL3741778)
Show SMILES Cc1cc2occ(C(=O)N3CCN(CC3)C(=O)c3cn(-c4cccc(c4)C(F)(F)F)c4ccccc34)c(=O)c2cc1C
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n/an/an/a 4.60E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547333
PNG
(CHEMBL3742191)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(-c2cccc(c2)[N+]([O-])=O)c2ccccc12
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n/an/an/a 2.18E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547348
PNG
(CHEMBL3741025)
Show SMILES [O-][N+](=O)c1cccc(c1)-n1cc(C(=O)N2CCN(CC2)C(=O)c2coc3ccccc3c2=O)c2ccccc12
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n/an/an/a>2.50E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547349
PNG
(CHEMBL3740423)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(-c2cccc(N)c2)c2ccccc12
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n/an/an/a 1.76E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547350
PNG
(CHEMBL3740948)
Show SMILES Nc1cccc(c1)-n1cc(C(=O)N2CCN(CC2)C(=O)c2coc3ccccc3c2=O)c2ccccc12
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n/an/an/a 1.91E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547334
PNG
(CHEMBL3741720)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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n/an/an/a 4.60E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547351
PNG
(CHEMBL3740702)
Show SMILES O=C(N1CCN(CC1)C(=O)c1coc2ccccc2c1=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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n/an/an/a 1.10E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547335
PNG
(CHEMBL3741275)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
PDB

UniProtKB/SwissProt

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n/an/an/a 4.60E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547352
PNG
(CHEMBL3740051)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(N)c1
PDB

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n/an/an/a 2.23E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547353
PNG
(CHEMBL3741922)
Show SMILES O=C(NCCNC(=O)c1ccc2ccccc2c1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
PDB

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n/an/an/a 3.55E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547354
PNG
(CHEMBL3740629)
Show SMILES CN(CCN(C)C(=O)c1ccccc1)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
PDB

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n/an/an/a>1.50E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547355
PNG
(CHEMBL3740630)
Show SMILES CN(CCN(C)C(=O)c1ccccc1F)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
PDB

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n/an/an/a 1.25E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547356
PNG
(CHEMBL3742150)
Show SMILES CN(CCN(C)C(=O)c1coc2ccccc2c1=O)C(=O)c1cn(-c2cccc(c2)C(F)(F)F)c2ccc(cc12)[N+]([O-])=O
PDB

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n/an/an/a 2.82E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Homo sapiens)		BDBM50547357
PNG
(CHEMBL3741278)
Show SMILES Nc1cccc(c1)-n1cc(C(=O)N2CCN(CC2)C(=O)c2coc3ccccc3c2=O)c2cc(N)ccc12
PDB

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n/an/an/a 9.31E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01316
BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
More data for this
Ligand-Target Pair
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