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Compile Data Set for Download or QSAR

Found 2296 hits with Last Name = 'an' and Initial = 'hy'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50308541
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
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 0.0190n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50308541
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
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 0.0190n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50353091
PNG
(CHEMBL1822944)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
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 0.0200n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50353091
PNG
(CHEMBL1822944)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
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 0.0200n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073061
PNG
(CHEMBL3410832)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12
Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)
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 0.0210n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073061
PNG
(CHEMBL3410832)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12
Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)
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 0.0210n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073068
PNG
(CHEMBL3410813)
Show SMILES CCCCCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OCCCCC
Show InChI InChI=1S/C28H35FN2O4/c1-3-5-7-17-34-24-14-11-21-19-23(27(32)30-16-15-20-9-12-22(29)13-10-20)28(33)31-25(21)26(24)35-18-8-6-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,32)(H,31,33)
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 0.0260n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073068
PNG
(CHEMBL3410813)
Show SMILES CCCCCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OCCCCC
Show InChI InChI=1S/C28H35FN2O4/c1-3-5-7-17-34-24-14-11-21-19-23(27(32)30-16-15-20-9-12-22(29)13-10-20)28(33)31-25(21)26(24)35-18-8-6-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,32)(H,31,33)
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 0.0260n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Pyruvate decarboxylase


(Zymomonas mobilis subsp. mobilis (strain ATCC 3182...)		BDBM50589544
PNG
(CHEMBL3559521)
Show SMILES Cc1ncc(Cn2cc(CCOP(O)(=O)OP(O)(O)=O)nn2)c(N)n1
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 0.0300n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00085g
BindingDB Entry DOI: 10.7270/Q2M90DMB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072968
PNG
(CHEMBL3410818)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C21H20N2O6/c1-3-27-19-16(26-2)7-5-13-9-14(21(25)23-18(13)19)20(24)22-10-12-4-6-15-17(8-12)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,22,24)(H,23,25)
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 0.0530n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072968
PNG
(CHEMBL3410818)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C21H20N2O6/c1-3-27-19-16(26-2)7-5-13-9-14(21(25)23-18(13)19)20(24)22-10-12-4-6-15-17(8-12)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,22,24)(H,23,25)
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 0.0530n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50353090
PNG
(CHEMBL1822943)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
Show InChI InChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
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 0.0849n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50353090
PNG
(CHEMBL1822943)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
Show InChI InChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
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 0.0850n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073005
PNG
(CHEMBL3410729)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)oc12
Show InChI InChI=1S/C24H25NO7/c1-3-4-5-10-29-22-19(28-2)9-7-16-12-17(24(27)32-21(16)22)23(26)25-13-15-6-8-18-20(11-15)31-14-30-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,26)
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 0.0869n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073005
PNG
(CHEMBL3410729)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)oc12
Show InChI InChI=1S/C24H25NO7/c1-3-4-5-10-29-22-19(28-2)9-7-16-12-17(24(27)32-21(16)22)23(26)25-13-15-6-8-18-20(11-15)31-14-30-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,26)
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 0.0870n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073000
PNG
(CHEMBL3410826)
Show SMILES CCCCCNc1c2CN(CCc3ccc(O)cc3)C(=O)c2ccc1OC
Show InChI InChI=1S/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3
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 0.0879n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073000
PNG
(CHEMBL3410826)
Show SMILES CCCCCNc1c2CN(CCc3ccc(O)cc3)C(=O)c2ccc1OC
Show InChI InChI=1S/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3
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 0.0880n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072967
PNG
(CHEMBL3410817)
Show SMILES CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H24N2O4/c1-3-13-28-20-18(27-2)10-9-16-14-17(22(26)24-19(16)20)21(25)23-12-11-15-7-5-4-6-8-15/h4-10,14H,3,11-13H2,1-2H3,(H,23,25)(H,24,26)
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 0.0900n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072967
PNG
(CHEMBL3410817)
Show SMILES CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H24N2O4/c1-3-13-28-20-18(27-2)10-9-16-14-17(22(26)24-19(16)20)21(25)23-12-11-15-7-5-4-6-8-15/h4-10,14H,3,11-13H2,1-2H3,(H,23,25)(H,24,26)
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 0.0900n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073001
PNG
(CHEMBL3410827)
Show SMILES CCCCCOc1ccc2C(=O)N(CCc3ccc(N)cc3)Cc2c1OCCCCC
Show InChI InChI=1S/C26H36N2O3/c1-3-5-7-17-30-24-14-13-22-23(25(24)31-18-8-6-4-2)19-28(26(22)29)16-15-20-9-11-21(27)12-10-20/h9-14H,3-8,15-19,27H2,1-2H3
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 0.110n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073001
PNG
(CHEMBL3410827)
Show SMILES CCCCCOc1ccc2C(=O)N(CCc3ccc(N)cc3)Cc2c1OCCCCC
Show InChI InChI=1S/C26H36N2O3/c1-3-5-7-17-30-24-14-13-22-23(25(24)31-18-8-6-4-2)19-28(26(22)29)16-15-20-9-11-21(27)12-10-20/h9-14H,3-8,15-19,27H2,1-2H3
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 0.110n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50353092
PNG
(CHEMBL1822945)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27N3O4/c1-3-4-5-14-30-21-19(29-2)7-6-17-15-18(23(28)26-20(17)21)22(27)25-13-10-16-8-11-24-12-9-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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 0.130n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50353092
PNG
(CHEMBL1822945)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27N3O4/c1-3-4-5-14-30-21-19(29-2)7-6-17-15-18(23(28)26-20(17)21)22(27)25-13-10-16-8-11-24-12-9-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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 0.130n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073059
PNG
(CHEMBL3410831)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3F)c(=O)[nH]c12
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-7-14-31-22-20(30-2)11-10-17-15-18(24(29)27-21(17)22)23(28)26-13-12-16-8-5-6-9-19(16)25/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,26,28)(H,27,29)
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 0.180n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073059
PNG
(CHEMBL3410831)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3F)c(=O)[nH]c12
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-7-14-31-22-20(30-2)11-10-17-15-18(24(29)27-21(17)22)23(28)26-13-12-16-8-5-6-9-19(16)25/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,26,28)(H,27,29)
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 0.180n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072992
PNG
(CHEMBL3410819)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)n(C)c12
Show InChI InChI=1S/C25H28N2O6/c1-4-5-6-11-31-23-20(30-3)10-8-17-13-18(25(29)27(2)22(17)23)24(28)26-14-16-7-9-19-21(12-16)33-15-32-19/h7-10,12-13H,4-6,11,14-15H2,1-3H3,(H,26,28)
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 0.220n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072992
PNG
(CHEMBL3410819)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)n(C)c12
Show InChI InChI=1S/C25H28N2O6/c1-4-5-6-11-31-23-20(30-3)10-8-17-13-18(25(29)27(2)22(17)23)24(28)26-14-16-7-9-19-21(12-16)33-15-32-19/h7-10,12-13H,4-6,11,14-15H2,1-3H3,(H,26,28)
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 0.220n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072965
PNG
(CHEMBL3410815)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H26N2O4/c1-3-4-14-29-21-19(28-2)11-10-17-15-18(23(27)25-20(17)21)22(26)24-13-12-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,24,26)(H,25,27)
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 0.330n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072965
PNG
(CHEMBL3410815)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H26N2O4/c1-3-4-14-29-21-19(28-2)11-10-17-15-18(23(27)25-20(17)21)22(26)24-13-12-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,24,26)(H,25,27)
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 0.330n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073066
PNG
(CHEMBL3410811)
Show SMILES CCCCCOc1ccc(cc1OCCCCC)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C25H35NO4/c1-3-5-7-17-29-23-14-11-21(19-24(23)30-18-8-6-4-2)25(28)26-16-15-20-9-12-22(27)13-10-20/h9-14,19,27H,3-8,15-18H2,1-2H3,(H,26,28)
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 0.440n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073066
PNG
(CHEMBL3410811)
Show SMILES CCCCCOc1ccc(cc1OCCCCC)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C25H35NO4/c1-3-5-7-17-29-23-14-11-21(19-24(23)30-18-8-6-4-2)25(28)26-16-15-20-9-12-22(27)13-10-20/h9-14,19,27H,3-8,15-18H2,1-2H3,(H,26,28)
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 0.440n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50422834
PNG
(CHEMBL204387)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O5/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)26-21(17)22)23(28)25-13-12-16-6-9-18(27)10-7-16/h6-11,15,27H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29)
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 0.480n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50422834
PNG
(CHEMBL204387)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O5/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)26-21(17)22)23(28)25-13-12-16-6-9-18(27)10-7-16/h6-11,15,27H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29)
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 0.480n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50427294
PNG
(CHEMBL2325429 | SB-743921)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1 |r|
Show InChI InChI=1S/C31H33ClN2O3/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3/t28-/m1/s1
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 0.5n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain ATPase activity expressed in Escherichia col...

J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072969
PNG
(CHEMBL3407534)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)n(C)c12
Show InChI InChI=1S/C24H29N3O4/c1-4-5-6-15-31-22-20(30-3)8-7-18-16-19(24(29)27(2)21(18)22)23(28)26-14-11-17-9-12-25-13-10-17/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3,(H,26,28)
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 0.750n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072969
PNG
(CHEMBL3407534)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)n(C)c12
Show InChI InChI=1S/C24H29N3O4/c1-4-5-6-15-31-22-20(30-3)8-7-18-16-19(24(29)27(2)21(18)22)23(28)26-14-11-17-9-12-25-13-10-17/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3,(H,26,28)
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 0.75n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50353078
PNG
(CHEMBL1822932)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCC(F)c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H25FN2O4/c1-3-4-12-30-21-19(29-2)11-10-16-13-17(23(28)26-20(16)21)22(27)25-14-18(24)15-8-6-5-7-9-15/h5-11,13,18H,3-4,12,14H2,1-2H3,(H,25,27)(H,26,28)
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 0.800n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50353078
PNG
(CHEMBL1822932)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCC(F)c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H25FN2O4/c1-3-4-12-30-21-19(29-2)11-10-16-13-17(23(28)26-20(16)21)22(27)25-14-18(24)15-8-6-5-7-9-15/h5-11,13,18H,3-4,12,14H2,1-2H3,(H,25,27)(H,26,28)
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 0.800n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072966
PNG
(CHEMBL3410816)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)c(OC)c3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O6/c1-4-5-6-13-33-23-20(31-2)10-8-17-15-18(25(30)27-22(17)23)24(29)26-12-11-16-7-9-19(28)21(14-16)32-3/h7-10,14-15,28H,4-6,11-13H2,1-3H3,(H,26,29)(H,27,30)
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 0.970n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072966
PNG
(CHEMBL3410816)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)c(OC)c3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O6/c1-4-5-6-13-33-23-20(31-2)10-8-17-15-18(25(30)27-22(17)23)24(29)26-12-11-16-7-9-19(28)21(14-16)32-3/h7-10,14-15,28H,4-6,11-13H2,1-3H3,(H,26,29)(H,27,30)
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 0.971n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072993
PNG
(CHEMBL3410820)
Show SMILES CCCCCSc1cc(\C=C\C(=O)NCCc2ccc(O)cc2)ccc1OC
Show InChI InChI=1S/C23H29NO3S/c1-3-4-5-16-28-22-17-19(8-12-21(22)27-2)9-13-23(26)24-15-14-18-6-10-20(25)11-7-18/h6-13,17,25H,3-5,14-16H2,1-2H3,(H,24,26)/b13-9+
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 1.10n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072993
PNG
(CHEMBL3410820)
Show SMILES CCCCCSc1cc(\C=C\C(=O)NCCc2ccc(O)cc2)ccc1OC
Show InChI InChI=1S/C23H29NO3S/c1-3-4-5-16-28-22-17-19(8-12-21(22)27-2)9-13-23(26)24-15-14-18-6-10-20(25)11-7-18/h6-13,17,25H,3-5,14-16H2,1-2H3,(H,24,26)/b13-9+
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 1.10n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50427274
PNG
(CHEMBL2325410)
Show SMILES Cc1ccc(cc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C24H25NO2S/c1-17-13-14-21(15-18(17)2)24(19-9-5-3-6-10-19,20-11-7-4-8-12-20)28-16-22(25)23(26)27/h3-15,22H,16,25H2,1-2H3,(H,26,27)/t22-/m0/s1
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 1.20n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (...

J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072999
PNG
(CHEMBL3410825)
Show SMILES CCCCCOc1c(OC)ccc2C(=O)N(CCc3ccc(O)cc3)CCc12
Show InChI InChI=1S/C23H29NO4/c1-3-4-5-16-28-22-19-13-15-24(14-12-17-6-8-18(25)9-7-17)23(26)20(19)10-11-21(22)27-2/h6-11,25H,3-5,12-16H2,1-2H3
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 1.80n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50072999
PNG
(CHEMBL3410825)
Show SMILES CCCCCOc1c(OC)ccc2C(=O)N(CCc3ccc(O)cc3)CCc12
Show InChI InChI=1S/C23H29NO4/c1-3-4-5-16-28-22-19-13-15-24(14-12-17-6-8-18(25)9-7-17)23(26)20(19)10-11-21(22)27-2/h6-11,25H,3-5,12-16H2,1-2H3
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 1.80n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073067
PNG
(CHEMBL3410812)
Show SMILES CCCCCOc1ccc(cc1SCCCCC)C(=O)NCCc1ccc(N)cc1
Show InChI InChI=1S/C25H36N2O2S/c1-3-5-7-17-29-23-14-11-21(19-24(23)30-18-8-6-4-2)25(28)27-16-15-20-9-12-22(26)13-10-20/h9-14,19H,3-8,15-18,26H2,1-2H3,(H,27,28)
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 1.90n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073067
PNG
(CHEMBL3410812)
Show SMILES CCCCCOc1ccc(cc1SCCCCC)C(=O)NCCc1ccc(N)cc1
Show InChI InChI=1S/C25H36N2O2S/c1-3-5-7-17-29-23-14-11-21(19-24(23)30-18-8-6-4-2)25(28)27-16-15-20-9-12-22(26)13-10-20/h9-14,19H,3-8,15-18,26H2,1-2H3,(H,27,28)
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 1.90n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50048866
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
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 2n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocin from the Sigma1 receptor

Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
BindingDB Entry DOI: 10.7270/Q29Z984K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50251208
PNG
(CHEMBL4088272)
Show SMILES CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|
Show InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3
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 2n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocin from the Sigma1 receptor

Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
BindingDB Entry DOI: 10.7270/Q29Z984K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))		BDBM50427278
PNG
(CHEMBL2325414)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2CCCCc2c1)C(O)=O |r|
Show InChI InChI=1S/C26H27NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-6,11-17,24H,7-10,18,27H2,(H,28,29)/t24-/m0/s1
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 2.10n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (...

J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair
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