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Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'achanfuo-yeboah' and Initial = 'j'   
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 1


(Homo sapiens (human))
BDBM50267545
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C25H24F6N2O3S/c26-24(27,28)18-5-3-16(4-6-18)21-14-22(21)23(34)32-7-9-33(10-8-32)37(35,36)20-12-17(15-1-2-15)11-19(13-20)25(29,30)31/h3-6,11-13,15,21-22H,1-2,7-10,14H2/t21-,22+/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50267545
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C25H24F6N2O3S/c26-24(27,28)18-5-3-16(4-6-18)21-14-22(21)23(34)32-7-9-33(10-8-32)37(35,36)20-12-17(15-1-2-15)11-19(13-20)25(29,30)31/h3-6,11-13,15,21-22H,1-2,7-10,14H2/t21-,22+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H] SR141716 from rat recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267907
PNG
((4-(3-(4H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1nnc[nH]1
Show InChI InChI=1S/C24H21F6N5O3S/c25-23(26,27)16-3-1-14(2-4-16)19-12-20(19)22(36)34-5-7-35(8-6-34)39(37,38)18-10-15(21-31-13-32-33-21)9-17(11-18)24(28,29)30/h1-4,9-11,13,19-20H,5-8,12H2,(H,31,32,33)/t19-,20+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267775
PNG
((4-(3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)phenyls...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1S/C25H22F6N4O3S/c26-24(27,28)17-3-1-15(2-4-17)20-14-21(20)23(36)34-7-9-35(10-8-34)39(37,38)19-12-16(22-5-6-32-33-22)11-18(13-19)25(29,30)31/h1-6,11-13,20-21H,7-10,14H2,(H,32,33)/t20-,21+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267585
PNG
((4-(3-isopropoxy-5-(trifluoromethyl)phenylsulfonyl...)
Show SMILES CC(C)Oc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H26F6N2O4S/c1-15(2)37-19-11-18(25(29,30)31)12-20(13-19)38(35,36)33-9-7-32(8-10-33)23(34)22-14-21(22)16-3-5-17(6-4-16)24(26,27)28/h3-6,11-13,15,21-22H,7-10,14H2,1-2H3/t21-,22+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267730
PNG
((4-(3-(1,2,4-oxadiazol-3-yl)-5-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1ncon1
Show InChI InChI=1S/C24H20F6N4O4S/c25-23(26,27)16-3-1-14(2-4-16)19-12-20(19)22(35)33-5-7-34(8-6-33)39(36,37)18-10-15(21-31-13-38-32-21)9-17(11-18)24(28,29)30/h1-4,9-11,13,19-20H,5-8,12H2/t19-,20+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267545
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C25H24F6N2O3S/c26-24(27,28)18-5-3-16(4-6-18)21-14-22(21)23(34)32-7-9-33(10-8-32)37(35,36)20-12-17(15-1-2-15)11-19(13-20)25(29,30)31/h3-6,11-13,15,21-22H,1-2,7-10,14H2/t21-,22+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267487
PNG
(1-(4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfo...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(cc(c2)C(F)(F)F)C2CC2)cc1
Show InChI InChI=1S/C23H22F6N2O3S/c24-22(25,26)18-5-1-15(2-6-18)11-21(32)30-7-9-31(10-8-30)35(33,34)20-13-17(16-3-4-16)12-19(14-20)23(27,28)29/h1-2,5-6,12-14,16H,3-4,7-11H2
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267584
PNG
((4-(3-methoxy-5-(trifluoromethyl)phenylsulfonyl)pi...)
Show SMILES COc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F6N2O4S/c1-35-17-10-16(23(27,28)29)11-18(12-17)36(33,34)31-8-6-30(7-9-31)21(32)20-13-19(20)14-2-4-15(5-3-14)22(24,25)26/h2-5,10-12,19-20H,6-9,13H2,1H3/t19-,20+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267688
PNG
((4-(3-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C24H21F6N5O3S/c25-23(26,27)16-3-1-15(2-4-16)20-14-21(20)22(36)33-7-9-34(10-8-33)39(37,38)19-12-17(24(28,29)30)11-18(13-19)35-31-5-6-32-35/h1-6,11-13,20-21H,7-10,14H2/t20-,21+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267687
PNG
((4-(3-(1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyls...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-n1cccn1
Show InChI InChI=1S/C25H22F6N4O3S/c26-24(27,28)17-4-2-16(3-5-17)21-15-22(21)23(36)33-8-10-34(11-9-33)39(37,38)20-13-18(25(29,30)31)12-19(14-20)35-7-1-6-32-35/h1-7,12-14,21-22H,8-11,15H2/t21-,22+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267487
PNG
(1-(4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfo...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(cc(c2)C(F)(F)F)C2CC2)cc1
Show InChI InChI=1S/C23H22F6N2O3S/c24-22(25,26)18-5-1-15(2-6-18)11-21(32)30-7-9-31(10-8-30)35(33,34)20-13-17(16-3-4-16)12-19(14-20)23(27,28)29/h1-2,5-6,12-14,16H,3-4,7-11H2
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267686
PNG
((4-(3-(2,2,2-trifluoro-1-hydroxyethyl)-5-(trifluor...)
Show SMILES OC(c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21F9N2O4S/c25-22(26,27)15-3-1-13(2-4-15)18-12-19(18)21(37)34-5-7-35(8-6-34)40(38,39)17-10-14(20(36)24(31,32)33)9-16(11-17)23(28,29)30/h1-4,9-11,18-20,36H,5-8,12H2/t18-,19+,20?/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50267487
PNG
(1-(4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfo...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(cc(c2)C(F)(F)F)C2CC2)cc1
Show InChI InChI=1S/C23H22F6N2O3S/c24-22(25,26)18-5-1-15(2-6-18)11-21(32)30-7-9-31(10-8-30)35(33,34)20-13-17(16-3-4-16)12-19(14-20)23(27,28)29/h1-2,5-6,12-14,16H,3-4,7-11H2
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant CB1R expressed in CHO cells assessed as inhibition of methanandamide-stimulated cAMP level


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267617
PNG
(3-(trifluoromethyl)-5-(4-((1R,2R)-2-(4-(trifluorom...)
Show SMILES CN(C)C(=O)Oc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25F6N3O5S/c1-32(2)23(36)39-18-11-17(25(29,30)31)12-19(13-18)40(37,38)34-9-7-33(8-10-34)22(35)21-14-20(21)15-3-5-16(6-4-15)24(26,27)28/h3-6,11-13,20-21H,7-10,14H2,1-2H3/t20-,21+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50267545
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C25H24F6N2O3S/c26-24(27,28)18-5-3-16(4-6-18)21-14-22(21)23(34)32-7-9-33(10-8-32)37(35,36)20-12-17(15-1-2-15)11-19(13-20)25(29,30)31/h3-6,11-13,15,21-22H,1-2,7-10,14H2/t21-,22+/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267874
PNG
((4-(3-(2H-1,2,3-triazol-4-yl)-5-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1c[nH]nn1
Show InChI InChI=1S/C24H21F6N5O3S/c25-23(26,27)16-3-1-14(2-4-16)19-12-20(19)22(36)34-5-7-35(8-6-34)39(37,38)18-10-15(21-13-31-33-32-21)9-17(11-18)24(28,29)30/h1-4,9-11,13,19-20H,5-8,12H2,(H,31,32,33)/t19-,20+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267650
PNG
((4-(3-(2-hydroxyethyl)-5-(trifluoromethyl)phenylsu...)
Show SMILES OCCc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24F6N2O4S/c25-23(26,27)17-3-1-16(2-4-17)20-14-21(20)22(34)31-6-8-32(9-7-31)37(35,36)19-12-15(5-10-33)11-18(13-19)24(28,29)30/h1-4,11-13,20-21,33H,5-10,14H2/t20-,21+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267484
PNG
(1-(4-(3,5-bis(trifluoromethyl)phenylsulfonyl)piper...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H17F9N2O3S/c22-19(23,24)14-3-1-13(2-4-14)9-18(33)31-5-7-32(8-6-31)36(34,35)17-11-15(20(25,26)27)10-16(12-17)21(28,29)30/h1-4,10-12H,5-9H2
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267486
PNG
(CHEMBL478696 | methyl 3-(trifluoromethyl)-5-(4-(2-...)
Show SMILES COC(=O)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H20F6N2O5S/c1-35-20(32)15-11-17(22(26,27)28)13-18(12-15)36(33,34)30-8-6-29(7-9-30)19(31)10-14-2-4-16(5-3-14)21(23,24)25/h2-5,11-13H,6-10H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267652
PNG
((4-(3-(1,1-difluoro-2-hydroxyethyl)-5-(trifluorome...)
Show SMILES OCC(F)(F)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H22F8N2O4S/c25-22(26,13-35)16-9-17(24(30,31)32)11-18(10-16)39(37,38)34-7-5-33(6-8-34)21(36)20-12-19(20)14-1-3-15(4-2-14)23(27,28)29/h1-4,9-11,19-20,35H,5-8,12-13H2/t19-,20+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267485
PNG
(1-(4-(3-bromo-5-(trifluoromethyl)phenylsulfonyl)pi...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Br)cc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H17BrF6N2O3S/c21-16-10-15(20(25,26)27)11-17(12-16)33(31,32)29-7-5-28(6-8-29)18(30)9-13-1-3-14(4-2-13)19(22,23)24/h1-4,10-12H,5-9H2
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267583
PNG
((4-(3-hydroxy-5-(trifluoromethyl)phenylsulfonyl)pi...)
Show SMILES Oc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H20F6N2O4S/c23-21(24,25)14-3-1-13(2-4-14)18-12-19(18)20(32)29-5-7-30(8-6-29)35(33,34)17-10-15(22(26,27)28)9-16(31)11-17/h1-4,9-11,18-19,31H,5-8,12H2/t18-,19+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267728
PNG
((4-(3-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-n1cncn1
Show InChI InChI=1S/C24H21F6N5O3S/c25-23(26,27)16-3-1-15(2-4-16)20-12-21(20)22(36)33-5-7-34(8-6-33)39(37,38)19-10-17(24(28,29)30)9-18(11-19)35-14-31-13-32-35/h1-4,9-11,13-14,20-21H,5-8,12H2/t20-,21+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267615
PNG
(3-(trifluoromethyl)-5-(4-((1R,2R)-2-(4-(trifluorom...)
Show SMILES CC(C)(C)C(=O)Oc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H28F6N2O5S/c1-25(2,3)24(37)40-19-12-18(27(31,32)33)13-20(14-19)41(38,39)35-10-8-34(9-11-35)23(36)22-15-21(22)16-4-6-17(7-5-16)26(28,29)30/h4-7,12-14,21-22H,8-11,15H2,1-3H3/t21-,22+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267616
PNG
(3-(trifluoromethyl)-5-(4-((1R,2R)-2-(4-(trifluorom...)
Show SMILES CCC(=O)Oc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H24F6N2O5S/c1-2-22(34)38-18-11-17(25(29,30)31)12-19(13-18)39(36,37)33-9-7-32(8-10-33)23(35)21-14-20(21)15-3-5-16(6-4-15)24(26,27)28/h3-6,11-13,20-21H,2,7-10,14H2,1H3/t20-,21+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267651
PNG
((4-(3-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)ph...)
Show SMILES CC(C)(O)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H26F6N2O4S/c1-23(2,35)17-11-18(25(29,30)31)13-19(12-17)38(36,37)33-9-7-32(8-10-33)22(34)21-14-20(21)15-3-5-16(6-4-15)24(26,27)28/h3-6,11-13,20-21,35H,7-10,14H2,1-2H3/t20-,21+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267776
PNG
((4-(3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyls...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1cn[nH]c1
Show InChI InChI=1S/C25H22F6N4O3S/c26-24(27,28)18-3-1-15(2-4-18)21-12-22(21)23(36)34-5-7-35(8-6-34)39(37,38)20-10-16(17-13-32-33-14-17)9-19(11-20)25(29,30)31/h1-4,9-11,13-14,21-22H,5-8,12H2,(H,32,33)/t21-,22+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50267545
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C25H24F6N2O3S/c26-24(27,28)18-5-3-16(4-6-18)21-14-22(21)23(34)32-7-9-33(10-8-32)37(35,36)20-12-17(15-1-2-15)11-19(13-20)25(29,30)31/h3-6,11-13,15,21-22H,1-2,7-10,14H2/t21-,22+/m0/s1
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n/an/a 9.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant CB1R expressed in CHO cells assessed as inhibition of methanandamide-stimulated cAMP level


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267908
PNG
((4-(3-(5-methyl-4H-1,2,4-triazol-3-yl)-5-(trifluor...)
Show SMILES Cc1nnc([nH]1)-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H23F6N5O3S/c1-14-32-22(34-33-14)16-10-18(25(29,30)31)12-19(11-16)40(38,39)36-8-6-35(7-9-36)23(37)21-13-20(21)15-2-4-17(5-3-15)24(26,27)28/h2-5,10-12,20-21H,6-9,13H2,1H3,(H,32,33,34)/t20-,21+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267873
PNG
(2-(3-(trifluoromethyl)-5-(4-((1R,2R)-2-(4-(trifluo...)
Show SMILES Oc1csc(n1)-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H21F6N3O4S2/c26-24(27,28)16-3-1-14(2-4-16)19-12-20(19)23(36)33-5-7-34(8-6-33)40(37,38)18-10-15(22-32-21(35)13-39-22)9-17(11-18)25(29,30)31/h1-4,9-11,13,19-20,35H,5-8,12H2/t19-,20+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50267487
PNG
(1-(4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfo...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(cc(c2)C(F)(F)F)C2CC2)cc1
Show InChI InChI=1S/C23H22F6N2O3S/c24-22(25,26)18-5-1-15(2-6-18)11-21(32)30-7-9-31(10-8-30)35(33,34)20-13-17(16-3-4-16)12-19(14-20)23(27,28)29/h1-2,5-6,12-14,16H,3-4,7-11H2
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H] SR141716 from rat recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267258
PNG
(1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C19H17Cl2F3N2O3S/c20-15-10-16(21)12-17(11-15)30(28,29)26-7-5-25(6-8-26)18(27)9-13-1-3-14(4-2-13)19(22,23)24/h1-4,10-12H,5-9H2
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267544
PNG
(1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2...)
Show SMILES CC(C(=O)N1CCN(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H19Cl2F3N2O3S/c1-13(14-2-4-15(5-3-14)20(23,24)25)19(28)26-6-8-27(9-7-26)31(29,30)18-11-16(21)10-17(22)12-18/h2-5,10-13H,6-9H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267777
PNG
((4-(3-(3-methyl-1H-pyrazol-4-yl)-5-(trifluoromethy...)
Show SMILES Cc1[nH]ncc1-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F6N4O3S/c1-15-23(14-33-34-15)17-10-19(26(30,31)32)12-20(11-17)40(38,39)36-8-6-35(7-9-36)24(37)22-13-21(22)16-2-4-18(5-3-16)25(27,28)29/h2-5,10-12,14,21-22H,6-9,13H2,1H3,(H,33,34)/t21-,22+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267543
PNG
(1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-3...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C20H19Cl2F3N2O3S/c21-16-11-17(22)13-18(12-16)31(29,30)27-9-7-26(8-10-27)19(28)6-3-14-1-4-15(5-2-14)20(23,24)25/h1-2,4-5,11-13H,3,6-10H2
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50267487
PNG
(1-(4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfo...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(cc(c2)C(F)(F)F)C2CC2)cc1
Show InChI InChI=1S/C23H22F6N2O3S/c24-22(25,26)18-5-1-15(2-6-18)11-21(32)30-7-9-31(10-8-30)35(33,34)20-13-17(16-3-4-16)12-19(14-20)23(27,28)29/h1-2,5-6,12-14,16H,3-4,7-11H2
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50267777
PNG
((4-(3-(3-methyl-1H-pyrazol-4-yl)-5-(trifluoromethy...)
Show SMILES Cc1[nH]ncc1-c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F6N4O3S/c1-15-23(14-33-34-15)17-10-19(26(30,31)32)12-20(11-17)40(38,39)36-8-6-35(7-9-36)24(37)22-13-21(22)16-2-4-18(5-3-16)25(27,28)29/h2-5,10-12,14,21-22H,6-9,13H2,1H3,(H,33,34)/t21-,22+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK0499 binding assay


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267582
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2
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n/an/a 47n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267729
PNG
((4-(3-(1H-1,2,3-triazol-1-yl)-5-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-n1ccnn1
Show InChI InChI=1S/C24H21F6N5O3S/c25-23(26,27)16-3-1-15(2-4-16)20-14-21(20)22(36)33-7-9-34(10-8-33)39(37,38)19-12-17(24(28,29)30)11-18(13-19)35-6-5-31-32-35/h1-6,11-13,20-21H,7-10,14H2/t20-,21+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267582
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2
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n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50267686
PNG
((4-(3-(2,2,2-trifluoro-1-hydroxyethyl)-5-(trifluor...)
Show SMILES OC(c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21F9N2O4S/c25-22(26,27)15-3-1-13(2-4-15)18-12-19(18)21(37)34-5-7-35(8-6-34)40(38,39)17-10-14(20(36)24(31,32)33)9-16(11-17)23(28,29)30/h1-4,9-11,18-20,36H,5-8,12H2/t18-,19+,20?/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by MK0499 binding assay


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50267582
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2
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n/an/a 77n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant CB1R expressed in CHO cells assessed as inhibition of methanandamide-stimulated cAMP level


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267774
PNG
(CHEMBL523100 | cyclohexyl(4-(naphthalen-1-ylsulfon...)
Show SMILES O=C(C1CCCCC1)N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H26N2O3S/c24-21(18-8-2-1-3-9-18)22-13-15-23(16-14-22)27(25,26)20-12-6-10-17-7-4-5-11-19(17)20/h4-7,10-12,18H,1-3,8-9,13-16H2
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n/an/a 95n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267824
PNG
(5-(3-(trifluoromethyl)-5-(4-((1R,2R)-2-(4-(trifluo...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C24H20F6N4O5S/c25-23(26,27)15-3-1-13(2-4-15)18-12-19(18)21(35)33-5-7-34(8-6-33)40(37,38)17-10-14(20-31-32-22(36)39-20)9-16(11-17)24(28,29)30/h1-4,9-11,18-19H,5-8,12H2,(H,32,36)/t18-,19+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267259
PNG
(1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2...)
Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C19H17Cl2F3N2O3S/c20-15-10-16(21)12-17(11-15)30(28,29)26-6-4-25(5-7-26)18(27)9-13-2-1-3-14(8-13)19(22,23)24/h1-3,8,10-12H,4-7,9H2
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267257
PNG
(4-(2-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl...)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C19H17Cl2N3O3S/c20-16-10-17(21)12-18(11-16)28(26,27)24-7-5-23(6-8-24)19(25)9-14-1-3-15(13-22)4-2-14/h1-4,10-12H,5-9H2
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50267582
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2
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n/an/a 175n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267823
PNG
(3-(3-(trifluoromethyl)-5-(4-((1R,2R)-2-(4-(trifluo...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C24H20F6N4O5S/c25-23(26,27)15-3-1-13(2-4-15)18-12-19(18)21(35)33-5-7-34(8-6-33)40(37,38)17-10-14(20-31-22(36)39-32-20)9-16(11-17)24(28,29)30/h1-4,9-11,18-19H,5-8,12H2,(H,31,32,36)/t18-,19+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50267820
PNG
((4-(biphenyl-3-ylsulfonyl)piperazin-1-yl)(cyclohex...)
Show SMILES O=C(C1CCCCC1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C23H28N2O3S/c26-23(20-10-5-2-6-11-20)24-14-16-25(17-15-24)29(27,28)22-13-7-12-21(18-22)19-8-3-1-4-9-19/h1,3-4,7-9,12-13,18,20H,2,5-6,10-11,14-17H2
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
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