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Compile Data Set for Download or QSAR

Found 264 hits with Last Name = 'chen' and Initial = 'rz'   
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 |r|
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 1


(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 |r|
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] 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))
BDBM50316529
PNG
(CHEMBL1095151 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES Cc1n[nH]c(C)c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H25Cl3N4O2/c1-14-24(15(2)35-34-14)26(36)32-23-13-28(3,4)37-27-21(23)12-20(16-5-7-17(29)8-6-16)25(33-27)19-10-9-18(30)11-22(19)31/h5-12,23H,13H2,1-4H3,(H,32,36)(H,34,35)/t23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316527
PNG
(CHEMBL1097841 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H21Cl3N4O2/c1-26(2)11-22(32-24(34)15-12-30-31-13-15)20-10-19(14-3-5-16(27)6-4-14)23(33-25(20)35-26)18-8-7-17(28)9-21(18)29/h3-10,12-13,22H,11H2,1-2H3,(H,30,31)(H,32,34)/t22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316524
PNG
(CHEMBL1095158 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES Cc1cn[nH]c1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H23Cl3N4O2/c1-14-13-31-34-23(14)25(35)32-22-12-27(2,3)36-26-20(22)11-19(15-4-6-16(28)7-5-15)24(33-26)18-9-8-17(29)10-21(18)30/h4-11,13,22H,12H2,1-3H3,(H,31,34)(H,32,35)/t22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
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 |r|
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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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))
BDBM50316517
PNG
(CHEMBL1169572 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES Cc1cc(Cl)ccc1-c1nc2OC(C)(C)CC(NC(=O)C(O)C(F)(F)F)c2cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23Cl2F3N2O3/c1-13-10-16(28)8-9-17(13)21-18(14-4-6-15(27)7-5-14)11-19-20(12-25(2,3)36-24(19)33-21)32-23(35)22(34)26(29,30)31/h4-11,20,22,34H,12H2,1-3H3,(H,32,35)
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200841
PNG
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/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
Inhibition of cannabinoid CB1 receptor


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316528
PNG
(CHEMBL1095150 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES Cc1[nH]ncc1C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H23Cl3N4O2/c1-14-21(13-31-34-14)25(35)32-23-12-27(2,3)36-26-20(23)11-19(15-4-6-16(28)7-5-15)24(33-26)18-9-8-17(29)10-22(18)30/h4-11,13,23H,12H2,1-3H3,(H,31,34)(H,32,35)/t23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
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 |r|
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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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 |r|
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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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 |r|
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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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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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))
BDBM50316525
PNG
(CHEMBL1095476 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES Cc1n[nH]c(C(=O)N[C@@H]2CC(C)(C)Oc3nc(-c4ccc(Cl)cc4Cl)c(cc23)-c2ccc(Cl)cc2)c1C |r|
Show InChI InChI=1S/C28H25Cl3N4O2/c1-14-15(2)34-35-24(14)26(36)32-23-13-28(3,4)37-27-21(23)12-20(16-5-7-17(29)8-6-16)25(33-27)19-10-9-18(30)11-22(19)31/h5-12,23H,13H2,1-4H3,(H,32,36)(H,34,35)/t23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
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 |r|
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))
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 |r|
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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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))
BDBM50316532
PNG
(CHEMBL1095554 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2ccc3[nH]ncc3c2)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C30H23Cl3N4O2/c1-30(2)14-26(35-28(38)17-5-10-25-18(11-17)15-34-37-25)23-13-22(16-3-6-19(31)7-4-16)27(36-29(23)39-30)21-9-8-20(32)12-24(21)33/h3-13,15,26H,14H2,1-2H3,(H,34,37)(H,35,38)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316531
PNG
(CHEMBL1095553 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccccc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C30H23Cl3N4O2/c1-30(2)15-25(34-28(38)27-20-5-3-4-6-24(20)36-37-27)22-14-21(16-7-9-17(31)10-8-16)26(35-29(22)39-30)19-12-11-18(32)13-23(19)33/h3-14,25H,15H2,1-2H3,(H,34,38)(H,36,37)/t25-/m1/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 cannabinoid CB1 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
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 |r|
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))
BDBM50316520
PNG
(CHEMBL1095159 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES CC1(C)CC(NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H21Cl3F2N2O3/c1-24(2)11-20(31-23(34)25(29,30)12-33)18-10-17(13-3-5-14(26)6-4-13)21(32-22(18)35-24)16-8-7-15(27)9-19(16)28/h3-10,20,33H,11-12H2,1-2H3,(H,31,34)
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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 cannabinoid CB1 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50316513
PNG
(CHEMBL1096182 | N-((4R)-6-(4-chlorophenyl)-7-(2,4-...)
Show SMILES Cc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H23Cl3N4O2/c1-14-10-22(34-33-14)25(35)31-23-13-27(2,3)36-26-20(23)12-19(15-4-6-16(28)7-5-15)24(32-26)18-9-8-17(29)11-21(18)30/h4-12,23H,13H2,1-3H3,(H,31,35)(H,33,34)/t23-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat cannabinoid CB1 receptor


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316519
PNG
(CHEMBL1097456 | N-[6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC1(C)CC(NC(=O)CC(O)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H22Cl3F3N2O3/c1-25(2)12-20(33-22(36)11-21(35)26(30,31)32)18-10-17(13-3-5-14(27)6-4-13)23(34-24(18)37-25)16-8-7-15(28)9-19(16)29/h3-10,20-21,35H,11-12H2,1-2H3,(H,33,36)
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316518
PNG
(CHEMBL1097455 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES CC(O)(C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C26H22Cl3F3N2O3/c1-24(2)12-20(33-23(35)25(3,36)26(30,31)32)18-11-17(13-4-6-14(27)7-5-13)21(34-22(18)37-24)16-9-8-15(28)10-19(16)29/h4-11,20,36H,12H2,1-3H3,(H,33,35)
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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 cannabinoid CB1 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
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 |r|
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))
BDBM50316513
PNG
(CHEMBL1096182 | N-((4R)-6-(4-chlorophenyl)-7-(2,4-...)
Show SMILES Cc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H23Cl3N4O2/c1-14-10-22(34-33-14)25(35)31-23-13-27(2,3)36-26-20(23)12-19(15-4-6-16(28)7-5-15)24(32-26)18-9-8-17(29)11-21(18)30/h4-12,23H,13H2,1-3H3,(H,31,35)(H,33,34)/t23-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316536
PNG
(CHEMBL1095211 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C27H21Cl3F6N2O3/c1-24(2)11-20(37-21(39)12-25(40,26(31,32)33)27(34,35)36)18-10-17(13-3-5-14(28)6-4-13)22(38-23(18)41-24)16-8-7-15(29)9-19(16)30/h3-10,20,40H,11-12H2,1-2H3,(H,37,39)/t20-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
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))
BDBM50316534
PNG
(CHEMBL1095990 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H21Cl3N2O2/c1-13(30)28-21-12-24(2,3)31-23-19(21)11-18(14-4-6-15(25)7-5-14)22(29-23)17-9-8-16(26)10-20(17)27/h4-11,21H,12H2,1-3H3,(H,28,30)/t21-/m1/s1
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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 cannabinoid CB1 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316522
PNG
(2-Amino-N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichloro...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2ccccc2N)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C29H24Cl3N3O2/c1-29(2)15-25(34-27(36)20-5-3-4-6-24(20)33)22-14-21(16-7-9-17(30)10-8-16)26(35-28(22)37-29)19-12-11-18(31)13-23(19)32/h3-14,25H,15,33H2,1-2H3,(H,34,36)/t25-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316533
PNG
(CHEMBL1097795 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2cccc3[nH]ncc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C30H23Cl3N4O2/c1-30(2)14-26(35-28(38)19-4-3-5-25-23(19)15-34-37-25)22-13-21(16-6-8-17(31)9-7-16)27(36-29(22)39-30)20-11-10-18(32)12-24(20)33/h3-13,15,26H,14H2,1-2H3,(H,34,37)(H,35,38)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316526
PNG
(CHEMBL1097840 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2[nH]nc3CCCc23)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C29H25Cl3N4O2/c1-29(2)14-24(33-27(37)26-19-4-3-5-23(19)35-36-26)21-13-20(15-6-8-16(30)9-7-15)25(34-28(21)38-29)18-11-10-17(31)12-22(18)32/h6-13,24H,3-5,14H2,1-2H3,(H,33,37)(H,35,36)/t24-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
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 |r|
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 1


(Homo sapiens (Human))
BDBM50316515
PNG
(CHEMBL1094847 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES CC(C)(O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H25Cl3N2O3/c1-25(2)13-21(30-24(32)26(3,4)33)19-12-18(14-5-7-15(27)8-6-14)22(31-23(19)34-25)17-10-9-16(28)11-20(17)29/h5-12,21,33H,13H2,1-4H3,(H,30,32)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316517
PNG
(CHEMBL1169572 | N-[6-(4-Chlorophenyl)-7-(2,4-dichl...)
Show SMILES Cc1cc(Cl)ccc1-c1nc2OC(C)(C)CC(NC(=O)C(O)C(F)(F)F)c2cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23Cl2F3N2O3/c1-13-10-16(28)8-9-17(13)21-18(14-4-6-15(27)7-5-14)11-19-20(12-25(2,3)36-24(19)33-21)32-23(35)22(34)26(29,30)31/h4-11,20,22,34H,12H2,1-3H3,(H,32,35)
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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))
BDBM50316530
PNG
(CHEMBL1098876 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES Cc1nnc([nH]1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H22Cl3N5O2/c1-13-30-23(34-33-13)24(35)31-21-12-26(2,3)36-25-19(21)11-18(14-4-6-15(27)7-5-14)22(32-25)17-9-8-16(28)10-20(17)29/h4-11,21H,12H2,1-3H3,(H,31,35)(H,30,33,34)/t21-/m1/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 cannabinoid CB1 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
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 |r|
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 1


(Homo sapiens (Human))
BDBM50316523
PNG
(CHEMBL1095789 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CCc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H25Cl3N4O2/c1-4-18-12-23(35-34-18)26(36)32-24-14-28(2,3)37-27-21(24)13-20(15-5-7-16(29)8-6-15)25(33-27)19-10-9-17(30)11-22(19)31/h5-13,24H,4,14H2,1-3H3,(H,32,36)(H,34,35)/t24-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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 |r|
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))
BDBM50316514
PNG
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)
Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/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 cannabinoid CB1 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
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 |r|
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 |r|
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))
BDBM50316521
PNG
(CHEMBL1094839 | N-[(4R)-6-(4-Chlorophenyl)-7-(2,4-...)
Show SMILES CC1(C)C[C@@H](NC(=O)c2ccccc2O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C29H23Cl3N2O3/c1-29(2)15-24(33-27(36)20-5-3-4-6-25(20)35)22-14-21(16-7-9-17(30)10-8-16)26(34-28(22)37-29)19-12-11-18(31)13-23(19)32/h3-14,24,35H,15H2,1-2H3,(H,33,36)/t24-/m1/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 cannabinoid CB1 receptor expressed in CHO cells


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50314108
PNG
(CHEMBL1092169 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)
Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl2N2O5/c1-25(2,33)23(32)22-21(28-19(31)12-30)17-11-16(13-7-9-14(26)10-8-13)20(29-24(17)34-22)15-5-3-4-6-18(15)27/h3-11,30,33H,12H2,1-2H3,(H,28,31)
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n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cannabinoid CB1 receptor


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316514
PNG
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)
Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cannabinoid CB1 receptor


J Med Chem 53: 4028-37 (2010)


Article DOI: 10.1021/jm100023j
BindingDB Entry DOI: 10.7270/Q2TQ61QD
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 |r|
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))
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))
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 |r|
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
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