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PubMed code 17466519

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
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))
BDBM50211619
PNG
((S)-N-(1-(4-(4-ethoxy-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES CCOc1ccc(c(c1)S(=O)(=O)c1ccccc1F)S(=O)(=O)c1ccc(cc1)[C@H](C)NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H21F4NO7S3/c1-3-35-17-10-13-21(22(14-17)37(31,32)20-7-5-4-6-19(20)24)36(29,30)18-11-8-16(9-12-18)15(2)28-38(33,34)23(25,26)27/h4-15,28H,3H2,1-2H3/t15-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211617
PNG
((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(C)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H19F4NO6S3/c1-14-7-12-20(21(13-14)35(30,31)19-6-4-3-5-18(19)23)34(28,29)17-10-8-16(9-11-17)15(2)27-36(32,33)22(24,25)26/h3-13,15,27H,1-2H3/t15-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211632
PNG
((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(O)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H17F4NO7S3/c1-13(26-36(32,33)21(23,24)25)14-6-9-16(10-7-14)34(28,29)19-11-8-15(27)12-20(19)35(30,31)18-5-3-2-4-17(18)22/h2-13,26-27H,1H3/t13-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50172158
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H19ClFNO6S3/c1-14(24-31(2,25)26)15-7-10-17(11-8-15)32(27,28)20-12-9-16(22)13-21(20)33(29,30)19-6-4-3-5-18(19)23/h3-14,24H,1-2H3/t14-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211636
PNG
((S)-N-(1-(4-(4-cyclopropyl-2-(2-fluorophenylsulfon...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(cc1S(=O)(=O)c1ccccc1F)C1CC1
Show InChI InChI=1S/C24H21F4NO6S3/c1-15(29-38(34,35)24(26,27)28)16-8-11-19(12-9-16)36(30,31)22-13-10-18(17-6-7-17)14-23(22)37(32,33)21-5-3-2-4-20(21)25/h2-5,8-15,17,29H,6-7H2,1H3/t15-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211605
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H16ClF4NO6S3/c1-13(27-36(32,33)21(24,25)26)14-6-9-16(10-7-14)34(28,29)19-11-8-15(22)12-20(19)35(30,31)18-5-3-2-4-17(18)23/h2-13,27H,1H3/t13-/m0/s1
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211627
PNG
((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Show SMILES COCCOc1ccc(c(c1)S(=O)(=O)c1ccccc1F)S(=O)(=O)c1ccc(cc1)[C@H](C)NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C24H23F4NO8S3/c1-16(29-40(34,35)24(26,27)28)17-7-10-19(11-8-17)38(30,31)22-12-9-18(37-14-13-36-2)15-23(22)39(32,33)21-6-4-3-5-20(21)25/h3-12,15-16,29H,13-14H2,1-2H3/t16-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211629
PNG
((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(cc1S(=O)(=O)c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C22H16F7NO6S3/c1-13(30-39(35,36)22(27,28)29)14-6-9-16(10-7-14)37(31,32)19-11-8-15(21(24,25)26)12-20(19)38(33,34)18-5-3-2-4-17(18)23/h2-13,30H,1H3/t13-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211610
PNG
((S)-N-(1-(4-(4-chloro-2-(pyridin-2-ylsulfonyl)phen...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C20H19ClN2O6S3/c1-14(23-30(2,24)25)15-6-9-17(10-7-15)31(26,27)18-11-8-16(21)13-19(18)32(28,29)20-5-3-4-12-22-20/h3-14,23H,1-2H3/t14-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211604
PNG
((S)-N-(1-(4-(4-chloro-2-(pyridin-2-ylsulfonyl)phen...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C20H16ClF3N2O6S3/c1-13(26-35(31,32)20(22,23)24)14-5-8-16(9-6-14)33(27,28)17-10-7-15(21)12-18(17)34(29,30)19-4-2-3-11-25-19/h2-13,26H,1H3/t13-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211628
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NC(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H16ClF4NO5S2/c1-13(28-21(29)22(25,26)27)14-6-9-16(10-7-14)34(30,31)19-11-8-15(23)12-20(19)35(32,33)18-5-3-2-4-17(18)24/h2-13H,1H3,(H,28,29)/t13-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211609
PNG
((S)-N-(1-(4-(2-(2-amino-6-fluorophenylsulfonyl)-4-...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1c(N)cccc1F
Show InChI InChI=1S/C21H17ClF4N2O6S3/c1-12(28-37(33,34)21(24,25)26)13-5-8-15(9-6-13)35(29,30)18-10-7-14(22)11-19(18)36(31,32)20-16(23)3-2-4-17(20)27/h2-12,28H,27H2,1H3/t12-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211616
PNG
((S)-N-(1-(4-(4-(cyclopropylamino)-2-(2-fluoropheny...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(NC2CC2)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C24H22F4N2O6S3/c1-15(30-39(35,36)24(26,27)28)16-6-11-19(12-7-16)37(31,32)22-13-10-18(29-17-8-9-17)14-23(22)38(33,34)21-5-3-2-4-20(21)25/h2-7,10-15,17,29-30H,8-9H2,1H3/t15-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211620
PNG
((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H16F7NO7S3/c1-13(30-40(35,36)22(27,28)29)14-6-9-16(10-7-14)38(31,32)19-11-8-15(37-21(24,25)26)12-20(19)39(33,34)18-5-3-2-4-17(18)23/h2-13,30H,1H3/t13-/m0/s1
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211623
PNG
((S)-N-(1-(4-(4-chloro-2-(2,6-difluorophenylsulfony...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H15ClF5NO6S3/c1-12(28-37(33,34)21(25,26)27)13-5-8-15(9-6-13)35(29,30)18-10-7-14(22)11-19(18)36(31,32)20-16(23)3-2-4-17(20)24/h2-12,28H,1H3/t12-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211626
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NCC(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H18ClF4NO4S2/c1-14(28-13-22(25,26)27)15-6-9-17(10-7-15)33(29,30)20-11-8-16(23)12-21(20)34(31,32)19-5-3-2-4-18(19)24/h2-12,14,28H,13H2,1H3/t14-/m0/s1
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211638
PNG
((S)-N-(1-(4-(4-chloro-2-(cyclohexylsulfonyl)phenyl...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C21H26ClNO6S3/c1-15(23-30(2,24)25)16-8-11-19(12-9-16)31(26,27)20-13-10-17(22)14-21(20)32(28,29)18-6-4-3-5-7-18/h8-15,18,23H,3-7H2,1-2H3/t15-/m0/s1
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8.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211611
PNG
((S)-N-(1-(4-(4-amino-2-(2-fluorophenylsulfonyl)phe...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(N)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H18F4N2O6S3/c1-13(27-36(32,33)21(23,24)25)14-6-9-16(10-7-14)34(28,29)19-11-8-15(26)12-20(19)35(30,31)18-5-3-2-4-17(18)22/h2-13,27H,26H2,1H3/t13-/m0/s1
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211637
PNG
((S)-N-(1-(4-(4-chloro-2-(2-(cyclopropylamino)-6-fl...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1c(F)cccc1NC1CC1
Show InChI InChI=1S/C24H21ClF4N2O6S3/c1-14(31-40(36,37)24(27,28)29)15-5-10-18(11-6-15)38(32,33)21-12-7-16(25)13-22(21)39(34,35)23-19(26)3-2-4-20(23)30-17-8-9-17/h2-7,10-14,17,30-31H,8-9H2,1H3/t14-/m0/s1
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14.4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211621
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NCCC(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C23H20ClF4NO4S2/c1-15(29-13-12-23(26,27)28)16-6-9-18(10-7-16)34(30,31)21-11-8-17(24)14-22(21)35(32,33)20-5-3-2-4-19(20)25/h2-11,14-15,29H,12-13H2,1H3/t15-/m0/s1
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17n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211630
PNG
((S)-N-(1-(4-(4-chloro-2-(pyrimidin-2-ylsulfonyl)ph...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ncccn1
Show InChI InChI=1S/C19H15ClF3N3O6S3/c1-12(26-35(31,32)19(21,22)23)13-3-6-15(7-4-13)33(27,28)16-8-5-14(20)11-17(16)34(29,30)18-24-9-2-10-25-18/h2-12,26H,1H3/t12-/m0/s1
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21n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211614
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluoro-6-(methylamino)p...)
Show SMILES CNc1cccc(F)c1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C22H19ClF4N2O6S3/c1-13(29-38(34,35)22(25,26)27)14-6-9-16(10-7-14)36(30,31)19-11-8-15(23)12-20(19)37(32,33)21-17(24)4-3-5-18(21)28-2/h3-13,28-29H,1-2H3/t13-/m0/s1
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211639
PNG
((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)p...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccccc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H17F4NO6S3/c1-14(26-35(31,32)21(23,24)25)15-10-12-16(13-11-15)33(27,28)19-8-4-5-9-20(19)34(29,30)18-7-3-2-6-17(18)22/h2-14,26H,1H3/t14-/m0/s1
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25n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211618
PNG
((S)-N-(1-(4-(4-chloro-2-(piperidin-1-ylsulfonyl)ph...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H22ClF3N2O6S3/c1-14(25-35(31,32)20(22,23)24)15-5-8-17(9-6-15)33(27,28)18-10-7-16(21)13-19(18)34(29,30)26-11-3-2-4-12-26/h5-10,13-14,25H,2-4,11-12H2,1H3/t14-/m0/s1
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58n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211631
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NC(C)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H19ClFNO5S2/c1-14(25-15(2)26)16-7-10-18(11-8-16)31(27,28)21-12-9-17(23)13-22(21)32(29,30)20-6-4-3-5-19(20)24/h3-14H,1-2H3,(H,25,26)/t14-/m0/s1
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60.7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211634
PNG
((S)-N-(1-(4-(4-chloro-2-(2-(dimethylamino)-6-fluor...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1c(F)cccc1N(C)C
Show InChI InChI=1S/C23H21ClF4N2O6S3/c1-14(29-39(35,36)23(26,27)28)15-7-10-17(11-8-15)37(31,32)20-12-9-16(24)13-21(20)38(33,34)22-18(25)5-4-6-19(22)30(2)3/h4-14,29H,1-3H3/t14-/m0/s1
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115n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211615
PNG
(CHEMBL245778 | N-((S)-1-{4-[4-chloro-2-(1-oxy-pyri...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1cccc[n+]1[O-]
Show InChI InChI=1S/C20H19ClN2O7S3/c1-14(22-31(2,25)26)15-6-9-17(10-7-15)32(27,28)18-11-8-16(21)13-19(18)33(29,30)20-5-3-4-12-23(20)24/h3-14,22H,1-2H3/t14-/m0/s1
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119n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211622
PNG
((S)-N-(1-(4-(4-chloro-2-(2-methylfuran-3-ylsulfony...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccoc1C
Show InChI InChI=1S/C20H20ClNO7S3/c1-13(22-30(3,23)24)15-4-7-17(8-5-15)31(25,26)19-9-6-16(21)12-20(19)32(27,28)18-10-11-29-14(18)2/h4-13,22H,1-3H3/t13-/m0/s1
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129n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211612
PNG
((S)-N-tert-butyl-5-chloro-2-(4-(1-(trifluoromethyl...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C19H22ClF3N2O6S3/c1-12(24-34(30,31)19(21,22)23)13-5-8-15(9-6-13)32(26,27)16-10-7-14(20)11-17(16)33(28,29)25-18(2,3)4/h5-12,24-25H,1-4H3/t12-/m0/s1
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136n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211641
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluoro-6-morpholinophen...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1c(F)cccc1N1CCOCC1
Show InChI InChI=1S/C25H23ClF4N2O7S3/c1-16(31-42(37,38)25(28,29)30)17-5-8-19(9-6-17)40(33,34)22-10-7-18(26)15-23(22)41(35,36)24-20(27)3-2-4-21(24)32-11-13-39-14-12-32/h2-10,15-16,31H,11-14H2,1H3/t16-/m0/s1
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140n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211613
PNG
((S)-N-(1-(4-(4-chloro-2-(morpholinosulfonyl)phenyl...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20ClF3N2O7S3/c1-13(24-35(30,31)19(21,22)23)14-2-5-16(6-3-14)33(26,27)17-7-4-15(20)12-18(17)34(28,29)25-8-10-32-11-9-25/h2-7,12-13,24H,8-11H2,1H3/t13-/m0/s1
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192n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211606
PNG
((S)-N-(1-(4-(4-chloro-2-(quinolin-8-ylsulfonyl)phe...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C24H21ClN2O6S3/c1-16(27-34(2,28)29)17-8-11-20(12-9-17)35(30,31)21-13-10-19(25)15-23(21)36(32,33)22-7-3-5-18-6-4-14-26-24(18)22/h3-16,27H,1-2H3/t16-/m0/s1
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204n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211608
PNG
((S)-N-(1-(4-(4-chloro-2-(propylsulfonyl)phenylsulf...)
Show SMILES CCCS(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(C)(=O)=O
Show InChI InChI=1S/C18H22ClNO6S3/c1-4-11-28(23,24)18-12-15(19)7-10-17(18)29(25,26)16-8-5-14(6-9-16)13(2)20-27(3,21)22/h5-10,12-13,20H,4,11H2,1-3H3/t13-/m0/s1
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308n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211640
PNG
((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(cc1S(=O)(=O)c1ccccc1F)N1CCNCC1
Show InChI InChI=1S/C25H25F4N3O6S3/c1-17(31-41(37,38)25(27,28)29)18-6-9-20(10-7-18)39(33,34)23-11-8-19(32-14-12-30-13-15-32)16-24(23)40(35,36)22-5-3-2-4-21(22)26/h2-11,16-17,30-31H,12-15H2,1H3/t17-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211624
PNG
((S)-5-chloro-N-methyl-2-(4-(1-(methylsulfonamido)e...)
Show SMILES CNS(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(C)(=O)=O
Show InChI InChI=1S/C16H19ClN2O6S3/c1-11(19-26(3,20)21)12-4-7-14(8-5-12)27(22,23)15-9-6-13(17)10-16(15)28(24,25)18-2/h4-11,18-19H,1-3H3/t11-/m0/s1
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1.25E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211633
PNG
((S)-5-chloro-N,N-dimethyl-2-(4-(1-(methylsulfonami...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)C
Show InChI InChI=1S/C17H21ClN2O6S3/c1-12(19-27(4,21)22)13-5-8-15(9-6-13)28(23,24)16-10-7-14(18)11-17(16)29(25,26)20(2)3/h5-12,19H,1-4H3/t12-/m0/s1
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1.27E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211607
PNG
((S)-5-chloro-2-(4-(1-(methylsulfonamido)ethyl)phen...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)NS(C)(=O)=O
Show InChI InChI=1S/C16H19ClN2O8S4/c1-11(18-28(2,20)21)12-4-7-14(8-5-12)30(24,25)15-9-6-13(17)10-16(15)31(26,27)19-29(3,22)23/h4-11,18-19H,1-3H3/t11-/m0/s1
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2.75E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211635
PNG
((S)-1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)pheny...)
Show SMILES C[C@H](N)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H17ClFNO4S2/c1-13(23)14-6-9-16(10-7-14)28(24,25)19-11-8-15(21)12-20(19)29(26,27)18-5-3-2-4-17(18)22/h2-13H,23H2,1H3/t13-/m0/s1
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Article
PubMed
3.95E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211625
PNG
((S)-1-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES CCNC(=O)N[C@@H](C)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C23H22ClFN2O5S2/c1-3-26-23(28)27-15(2)16-8-11-18(12-9-16)33(29,30)21-13-10-17(24)14-22(21)34(31,32)20-7-5-4-6-19(20)25/h4-15H,3H2,1-2H3,(H2,26,27,28)/t15-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%