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Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'deehan' and Initial = 'm'   
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))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.316n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.316n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418229
PNG
(CHEMBL1760646)
Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32)
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0.398n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418228
PNG
(CHEMBL1760645)
Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31)
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0.794n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50416472
PNG
(CHEMBL1209708)
Show SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1C[C@H](C)N(C)[C@H](C)C1 |r|
Show InChI InChI=1S/C24H35N3O2/c1-17-13-27(14-18(2)25(17)3)24(28)21-16-26(15-19-9-6-5-7-10-19)23-20(21)11-8-12-22(23)29-4/h8,11-12,16-19H,5-7,9-10,13-15H2,1-4H3/t17-,18+
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0.794n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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0.933n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50416472
PNG
(CHEMBL1209708)
Show SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1C[C@H](C)N(C)[C@H](C)C1 |r|
Show InChI InChI=1S/C24H35N3O2/c1-17-13-27(14-18(2)25(17)3)24(28)21-16-26(15-19-9-6-5-7-10-19)23-20(21)11-8-12-22(23)29-4/h8,11-12,16-19H,5-7,9-10,13-15H2,1-4H3/t17-,18+
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1.26n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418012
PNG
(CHEMBL1682272)
Show SMILES CN(CC(N)=O)Cc1nc(no1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C20H24ClN5O3/c1-25(11-17(22)27)12-18-23-20(24-29-18)15-10-26(9-13-5-7-28-8-6-13)19-14(15)3-2-4-16(19)21/h2-4,10,13H,5-9,11-12H2,1H3,(H2,22,27)
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3.98n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380719
PNG
(CHEMBL1682275)
Show SMILES OCCNC(=O)C1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1
Show InChI InChI=1S/C25H32ClN5O4/c26-21-3-1-2-19-20(15-31(23(19)21)14-17-6-12-34-13-7-17)24-28-22(35-29-24)16-30-9-4-18(5-10-30)25(33)27-8-11-32/h1-3,15,17-18,32H,4-14,16H2,(H,27,33)
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3.98n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55,940 from human CB1 receptor expressed in insect sf9 membranes


Bioorg Med Chem Lett 22: 2932-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418210
PNG
(CHEMBL1760664)
Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31)
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4.37n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418212
PNG
(CHEMBL1760663)
Show SMILES CC(C)(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)8-9-28-21(30)20-12-17-10-15(13-27)6-7-19(17)29(20)14-16-4-3-5-18(11-16)32-23(24,25)26/h3-7,10-12,31H,8-9,14H2,1-2H3,(H,28,30)
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5.01n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418213
PNG
(CHEMBL1760661)
Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H22F3N3O4/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(33-23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30)
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5.5n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380717
PNG
(CHEMBL2017678)
Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)-c1nsc(CN2CCN(CC(N)=O)CC2)n1
Show InChI InChI=1S/C24H32N6O3S/c1-32-20-4-2-3-18-19(14-30(23(18)20)13-17-5-11-33-12-6-17)24-26-22(34-27-24)16-29-9-7-28(8-10-29)15-21(25)31/h2-4,14,17H,5-13,15-16H2,1H3,(H2,25,31)
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6.31n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55,940 from human CB1 receptor expressed in insect sf9 membranes


Bioorg Med Chem Lett 22: 2932-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50418012
PNG
(CHEMBL1682272)
Show SMILES CN(CC(N)=O)Cc1nc(no1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C20H24ClN5O3/c1-25(11-17(22)27)12-18-23-20(24-29-18)15-10-26(9-13-5-7-28-8-6-13)19-14(15)3-2-4-16(19)21/h2-4,10,13H,5-9,11-12H2,1H3,(H2,22,27)
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6.31n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418211
PNG
(CHEMBL1760662)
Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30)
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7.59n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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12.6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380717
PNG
(CHEMBL2017678)
Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)-c1nsc(CN2CCN(CC(N)=O)CC2)n1
Show InChI InChI=1S/C24H32N6O3S/c1-32-20-4-2-3-18-19(14-30(23(18)20)13-17-5-11-33-12-6-17)24-26-22(34-27-24)16-29-9-7-28(8-10-29)15-21(25)31/h2-4,14,17H,5-13,15-16H2,1H3,(H2,25,31)
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15.8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55,940 from human CB2 receptor expressed in insect sf9 membranes


Bioorg Med Chem Lett 22: 2932-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380720
PNG
(CHEMBL2017682)
Show SMILES OCCNC(=O)[C@H]1CCCN(Cc2nc(ns2)-c2cn(CC3CCS(=O)(=O)CC3)c3c(Cl)cccc23)C1 |r|
Show InChI InChI=1S/C25H32ClN5O4S2/c26-21-5-1-4-19-20(15-31(23(19)21)13-17-6-11-37(34,35)12-7-17)24-28-22(36-29-24)16-30-9-2-3-18(14-30)25(33)27-8-10-32/h1,4-5,15,17-18,32H,2-3,6-14,16H2,(H,27,33)/t18-/m0/s1
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19.9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55,940 from human CB2 receptor expressed in insect sf9 membranes


Bioorg Med Chem Lett 22: 2932-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380718
PNG
(CHEMBL2017684)
Show SMILES NC(=O)CN1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1
Show InChI InChI=1S/C23H29ClN6O3/c24-19-3-1-2-17-18(13-30(22(17)19)12-16-4-10-32-11-5-16)23-26-21(33-27-23)15-29-8-6-28(7-9-29)14-20(25)31/h1-3,13,16H,4-12,14-15H2,(H2,25,31)
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19.9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55,940 from human CB1 receptor expressed in insect sf9 membranes


Bioorg Med Chem Lett 22: 2932-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380719
PNG
(CHEMBL1682275)
Show SMILES OCCNC(=O)C1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1
Show InChI InChI=1S/C25H32ClN5O4/c26-21-3-1-2-19-20(15-31(23(19)21)14-17-6-12-34-13-7-17)24-28-22(35-29-24)16-30-9-4-18(5-10-30)25(33)27-8-11-32/h1-3,15,17-18,32H,4-14,16H2,(H,27,33)
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19.9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55,940 from human CB2 receptor expressed in insect sf9 membranes


Bioorg Med Chem Lett 22: 2932-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380720
PNG
(CHEMBL2017682)
Show SMILES OCCNC(=O)[C@H]1CCCN(Cc2nc(ns2)-c2cn(CC3CCS(=O)(=O)CC3)c3c(Cl)cccc23)C1 |r|
Show InChI InChI=1S/C25H32ClN5O4S2/c26-21-5-1-4-19-20(15-31(23(19)21)13-17-6-11-37(34,35)12-7-17)24-28-22(36-29-24)16-30-9-2-3-18(14-30)25(33)27-8-10-32/h1,4-5,15,17-18,32H,2-3,6-14,16H2,(H,27,33)/t18-/m0/s1
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31.6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55,940 from human CB1 receptor expressed in insect sf9 membranes


Bioorg Med Chem Lett 22: 2932-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380718
PNG
(CHEMBL2017684)
Show SMILES NC(=O)CN1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1
Show InChI InChI=1S/C23H29ClN6O3/c24-19-3-1-2-17-18(13-30(22(17)19)12-16-4-10-32-11-5-16)23-26-21(33-27-23)15-29-8-6-28(7-9-29)14-20(25)31/h1-3,13,16H,4-12,14-15H2,(H2,25,31)
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50.1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55,940 from human CB2 receptor expressed in insect sf9 membranes


Bioorg Med Chem Lett 22: 2932-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418110
PNG
(CHEMBL1762804)
Show SMILES COCCN(C)Cc1csc(n1)-c1cn(CC2CCCCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C23H30ClN3OS/c1-26(11-12-28-2)14-18-16-29-23(25-18)20-15-27(13-17-7-4-3-5-8-17)22-19(20)9-6-10-21(22)24/h6,9-10,15-17H,3-5,7-8,11-14H2,1-2H3
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251n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418117
PNG
(CHEMBL1762815)
Show SMILES CCc1sc(nc1CN(CCO)C(C)C)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C25H34ClN3O2S/c1-4-23-22(16-28(10-11-30)17(2)3)27-25(32-23)20-15-29(14-18-8-12-31-13-9-18)24-19(20)6-5-7-21(24)26/h5-7,15,17-18,30H,4,8-14,16H2,1-3H3
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251n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418122
PNG
(CHEMBL1762814)
Show SMILES CCN(CCO)Cc1nc(sc1CC)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C24H32ClN3O2S/c1-3-22-21(16-27(4-2)10-11-29)26-24(31-22)19-15-28(14-17-8-12-30-13-9-17)23-18(19)6-5-7-20(23)25/h5-7,15,17,29H,3-4,8-14,16H2,1-2H3
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316n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418109
PNG
(CHEMBL1760028)
Show SMILES CCN(CC)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C22H28ClN3OS/c1-3-25(4-2)13-17-15-28-22(24-17)19-14-26(12-16-8-10-27-11-9-16)21-18(19)6-5-7-20(21)23/h5-7,14-16H,3-4,8-13H2,1-2H3
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631n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418116
PNG
(CHEMBL1762813)
Show SMILES CCc1sc(nc1CN(C)CCO)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C23H30ClN3O2S/c1-3-21-20(15-26(2)9-10-28)25-23(30-21)18-14-27(13-16-7-11-29-12-8-16)22-17(18)5-4-6-19(22)24/h4-6,14,16,28H,3,7-13,15H2,1-2H3
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631n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418118
PNG
(CHEMBL1762816)
Show SMILES CC(C)N(CCO)Cc1nc(sc1Cl)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C23H29Cl2N3O2S/c1-15(2)27(8-9-29)14-20-22(25)31-23(26-20)18-13-28(12-16-6-10-30-11-7-16)21-17(18)4-3-5-19(21)24/h3-5,13,15-16,29H,6-12,14H2,1-2H3
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631n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418107
PNG
(CHEMBL1762802)
Show SMILES CCN(CC)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(F)cccc12
Show InChI InChI=1S/C22H28FN3OS/c1-3-25(4-2)13-17-15-28-22(24-17)19-14-26(12-16-8-10-27-11-9-16)21-18(19)6-5-7-20(21)23/h5-7,14-16H,3-4,8-13H2,1-2H3
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794n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418112
PNG
(CHEMBL1762807)
Show SMILES CCN(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C22H28ClN3O2S/c1-2-25(8-9-27)13-17-15-29-22(24-17)19-14-26(12-16-6-10-28-11-7-16)21-18(19)4-3-5-20(21)23/h3-5,14-16,27H,2,6-13H2,1H3
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794n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418108
PNG
(CHEMBL1762803)
Show SMILES Clc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCCC2)cs1
Show InChI InChI=1S/C22H26ClN3OS/c23-20-5-3-4-18-19(14-26(21(18)20)12-16-6-10-27-11-7-16)22-24-17(15-28-22)13-25-8-1-2-9-25/h3-5,14-16H,1-2,6-13H2
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794n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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851n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50340099
PNG
(2-(((2-(7-chloro-1-((tetrahydro-2H-pyran-4-yl)meth...)
Show SMILES CC(C)N(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C23H30ClN3O2S/c1-16(2)26(8-9-28)13-18-15-30-23(25-18)20-14-27(12-17-6-10-29-11-7-17)22-19(20)4-3-5-21(22)24/h3-5,14-17,28H,6-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418105
PNG
(CHEMBL1762799)
Show SMILES CCc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCCC2)cs1
Show InChI InChI=1S/C24H31N3OS/c1-2-19-6-5-7-21-22(16-27(23(19)21)14-18-8-12-28-13-9-18)24-25-20(17-29-24)15-26-10-3-4-11-26/h5-7,16-18H,2-4,8-15H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418119
PNG
(CHEMBL1762805)
Show SMILES COCCN(C)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C22H28ClN3O2S/c1-25(8-11-27-2)13-17-15-29-22(24-17)19-14-26(12-16-6-9-28-10-7-16)21-18(19)4-3-5-20(21)23/h3-5,14-16H,6-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418106
PNG
(CHEMBL1762800)
Show SMILES CCN(CC)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(CC)cccc12
Show InChI InChI=1S/C24H33N3OS/c1-4-19-8-7-9-21-22(24-25-20(17-29-24)15-26(5-2)6-3)16-27(23(19)21)14-18-10-12-28-13-11-18/h7-9,16-18H,4-6,10-15H2,1-3H3
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1.26E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418113
PNG
(CHEMBL1762810)
Show SMILES COC1CCN(Cc2csc(n2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1
Show InChI InChI=1S/C24H30ClN3O2S/c1-29-19-5-9-27(10-6-19)14-18-16-31-24(26-18)21-15-28(13-17-7-11-30-12-8-17)23-20(21)3-2-4-22(23)25/h2-4,15-17,19H,5-14H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418120
PNG
(CHEMBL1762801)
Show SMILES Fc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCCC2)cs1
Show InChI InChI=1S/C22H26FN3OS/c23-20-5-3-4-18-19(14-26(21(18)20)12-16-6-10-27-11-7-16)22-24-17(15-28-22)13-25-8-1-2-9-25/h3-5,14-16H,1-2,6-13H2
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1.58E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418111
PNG
(CHEMBL1762806)
Show SMILES CN(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C21H26ClN3O2S/c1-24(7-8-26)12-16-14-28-21(23-16)18-13-25(11-15-5-9-27-10-6-15)20-17(18)3-2-4-19(20)22/h2-4,13-15,26H,5-12H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418115
PNG
(CHEMBL1762812)
Show SMILES OCCN(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C22H28ClN3O3S/c23-20-3-1-2-18-19(14-26(21(18)20)12-16-4-10-29-11-5-16)22-24-17(15-30-22)13-25(6-8-27)7-9-28/h1-3,14-16,27-28H,4-13H2
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2.51E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418121
PNG
(CHEMBL1762809)
Show SMILES OC1CCN(Cc2csc(n2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1
Show InChI InChI=1S/C23H28ClN3O2S/c24-21-3-1-2-19-20(14-27(22(19)21)12-16-6-10-29-11-7-16)23-25-17(15-30-23)13-26-8-4-18(28)5-9-26/h1-3,14-16,18,28H,4-13H2
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2.51E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418114
PNG
(CHEMBL1762811)
Show SMILES Clc1cccc2c(cn(CC3CCOCC3)c12)-c1nc(CN2CCOCC2)cs1
Show InChI InChI=1S/C22H26ClN3O2S/c23-20-3-1-2-18-19(14-26(21(18)20)12-16-4-8-27-9-5-16)22-24-17(15-29-22)13-25-6-10-28-11-7-25/h1-3,14-16H,4-13H2
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3.98E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2541-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.023
BindingDB Entry DOI: 10.7270/Q2NP24RP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50418229
PNG
(CHEMBL1760646)
Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50418228
PNG
(CHEMBL1760645)
Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50418210
PNG
(CHEMBL1760664)
Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50380718
PNG
(CHEMBL2017684)
Show SMILES NC(=O)CN1CCN(Cc2nc(no2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)CC1
Show InChI InChI=1S/C23H29ClN6O3/c24-19-3-1-2-17-18(13-30(22(17)19)12-16-4-10-32-11-5-16)23-26-21(33-27-23)15-29-8-6-28(7-9-29)14-20(25)31/h1-3,13,16H,4-12,14-15H2,(H2,25,31)
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2.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG


Bioorg Med Chem Lett 22: 2932-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.048
BindingDB Entry DOI: 10.7270/Q2PV6MDJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418012
PNG
(CHEMBL1682272)
Show SMILES CN(CC(N)=O)Cc1nc(no1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Show InChI InChI=1S/C20H24ClN5O3/c1-25(11-17(22)27)12-18-23-20(24-29-18)15-10-26(9-13-5-7-28-8-6-13)19-14(15)3-2-4-16(19)21/h2-4,10,13H,5-9,11-12H2,1H3,(H2,22,27)
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3.16E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG channel in HEK293 cells


Bioorg Med Chem Lett 21: 1748-53 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.082
BindingDB Entry DOI: 10.7270/Q2HD7WWG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418222
PNG
(CHEMBL1760652)
Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)9-18(15)12-30-20-7-5-16(11-28)8-17(20)10-21(30)22(32)29-13-23(2,3)14-31/h4-10,31H,12-14H2,1-3H3,(H,29,32)
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n/an/a 0.513n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50418221
PNG
(CHEMBL1760653)
Show SMILES Cc1ccc(Cl)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C23H24ClN3O2/c1-15-4-6-19(24)9-18(15)12-27-20-7-5-16(11-25)8-17(20)10-21(27)22(29)26-13-23(2,3)14-28/h4-10,28H,12-14H2,1-3H3,(H,26,29)
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n/an/a 0.575n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity against human CB1 receptor


Bioorg Med Chem Lett 21: 2034-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.019
BindingDB Entry DOI: 10.7270/Q27082PM
More data for this
Ligand-Target Pair
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