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PubMed code 19457667

Compile data set for download or QSAR
Found 17 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


(Rattus norvegicus (rat))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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PubMed
 6.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268759
PNG
(CHEMBL496032 | N-butyl-2-chloro-N-(2-(4-(4-chlorop...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(Cl)cc1)C(=O)C(C)Cl
Show InChI InChI=1S/C26H27Cl2N3O2/c1-3-4-15-29(26(33)18(2)27)17-24(32)31-22-9-6-5-8-21(22)30-16-7-10-23(30)25(31)19-11-13-20(28)14-12-19/h5-14,16,18,25H,3-4,15,17H2,1-2H3
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 45n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268683
PNG
(CHEMBL496812 | N-butyl-2-chloro-N-(2-(4-(4-methoxy...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)C(C)Cl
Show InChI InChI=1S/C27H30ClN3O3/c1-4-5-16-29(27(33)19(2)28)18-25(32)31-23-10-7-6-9-22(23)30-17-8-11-24(30)26(31)20-12-14-21(34-3)15-13-20/h6-15,17,19,26H,4-5,16,18H2,1-3H3
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 46n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268633
PNG
(CHEMBL498425 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)C1CC1
Show InChI InChI=1S/C28H31N3O3/c1-3-4-17-29(28(33)21-11-12-21)19-26(32)31-24-9-6-5-8-23(24)30-18-7-10-25(30)27(31)20-13-15-22(34-2)16-14-20/h5-10,13-16,18,21,27H,3-4,11-12,17,19H2,1-2H3
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 78n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268634
PNG
(CHEMBL498627 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)C(C)C
Show InChI InChI=1S/C28H33N3O3/c1-5-6-17-29(28(33)20(2)3)19-26(32)31-24-11-8-7-10-23(24)30-18-9-12-25(30)27(31)21-13-15-22(34-4)16-14-21/h7-16,18,20,27H,5-6,17,19H2,1-4H3
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 124n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268514
PNG
(CHEMBL522247 | N-butyl-2-chloro-N-(2-(4-(4-methoxy...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C31H30ClN3O3/c1-3-4-19-33(31(37)24-10-5-6-11-25(24)32)21-29(36)35-27-13-8-7-12-26(27)34-20-9-14-28(34)30(35)22-15-17-23(38-2)18-16-22/h5-18,20,30H,3-4,19,21H2,1-2H3
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 137n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268758
PNG
(CHEMBL495836 | N-butyl-2-chloro-N-(2-(4-(4-fluorop...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(F)cc1)C(=O)C(C)Cl
Show InChI InChI=1S/C26H27ClFN3O2/c1-3-4-15-29(26(33)18(2)27)17-24(32)31-22-9-6-5-8-21(22)30-16-7-10-23(30)25(31)19-11-13-20(28)14-12-19/h5-14,16,18,25H,3-4,15,17H2,1-2H3
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 162n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268632
PNG
(CHEMBL498424 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)C1CCC1
Show InChI InChI=1S/C29H33N3O3/c1-3-4-18-30(29(34)22-9-7-10-22)20-27(33)32-25-12-6-5-11-24(25)31-19-8-13-26(31)28(32)21-14-16-23(35-2)17-15-21/h5-6,8,11-17,19,22,28H,3-4,7,9-10,18,20H2,1-2H3
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 214n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268454
PNG
(2-chloro-N-isopropyl-N-(2-(4-(4-methoxyphenyl)pyrr...)
Show SMILES COc1ccc(cc1)C1N(C(=O)CN(C(C)C)C(=O)C(C)Cl)c2ccccc2-n2cccc12
Show InChI InChI=1S/C26H28ClN3O3/c1-17(2)29(26(32)18(3)27)16-24(31)30-22-9-6-5-8-21(22)28-15-7-10-23(28)25(30)19-11-13-20(33-4)14-12-19/h5-15,17-18,25H,16H2,1-4H3
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 220n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268569
PNG
(CHEMBL496596 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)CC(C)C
Show InChI InChI=1S/C29H35N3O3/c1-5-6-17-30(27(33)19-21(2)3)20-28(34)32-25-11-8-7-10-24(25)31-18-9-12-26(31)29(32)22-13-15-23(35-4)16-14-22/h7-16,18,21,29H,5-6,17,19-20H2,1-4H3
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 236n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268721
PNG
(CHEMBL496221 | N-butyl-2-chloro-N-(2-oxo-2-(4-phen...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccccc1)C(=O)C(C)Cl
Show InChI InChI=1S/C26H28ClN3O2/c1-3-4-16-28(26(32)19(2)27)18-24(31)30-22-14-9-8-13-21(22)29-17-10-15-23(29)25(30)20-11-6-5-7-12-20/h5-15,17,19,25H,3-4,16,18H2,1-2H3
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 260n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268568
PNG
(CHEMBL521738 | N-butyl-2-fluoro-N-(2-(4-(4-methoxy...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)c1ccccc1F
Show InChI InChI=1S/C31H30FN3O3/c1-3-4-19-33(31(37)24-10-5-6-11-25(24)32)21-29(36)35-27-13-8-7-12-26(27)34-20-9-14-28(34)30(35)22-15-17-23(38-2)18-16-22/h5-18,20,30H,3-4,19,21H2,1-2H3
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 349n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268682
PNG
(CHEMBL496207 | N-butyl-2-methoxy-N-(2-(4-(4-methox...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)COC
Show InChI InChI=1S/C27H31N3O4/c1-4-5-16-28(26(32)19-33-2)18-25(31)30-23-10-7-6-9-22(23)29-17-8-11-24(29)27(30)20-12-14-21(34-3)15-13-20/h6-15,17,27H,4-5,16,18-19H2,1-3H3
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 461n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268567
PNG
(CHEMBL497006 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)c1ccccc1C
Show InChI InChI=1S/C32H33N3O3/c1-4-5-20-33(32(37)26-12-7-6-11-23(26)2)22-30(36)35-28-14-9-8-13-27(28)34-21-10-15-29(34)31(35)24-16-18-25(38-3)19-17-24/h6-19,21,31H,4-5,20,22H2,1-3H3
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 503n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268681
PNG
(CHEMBL521717 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)CC
Show InChI InChI=1S/C27H31N3O3/c1-4-6-17-28(25(31)5-2)19-26(32)30-23-11-8-7-10-22(23)29-18-9-12-24(29)27(30)20-13-15-21(33-3)16-14-20/h7-16,18,27H,4-6,17,19H2,1-3H3
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 539n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268570
PNG
(CHEMBL496597 | N-butyl-N-(2-(4-(4-methoxyphenyl)py...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)C1CCCC1
Show InChI InChI=1S/C30H35N3O3/c1-3-4-19-31(30(35)23-10-5-6-11-23)21-28(34)33-26-13-8-7-12-25(26)32-20-9-14-27(32)29(33)22-15-17-24(36-2)18-16-22/h7-9,12-18,20,23,29H,3-6,10-11,19,21H2,1-2H3
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 602n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50268513
PNG
(CHEMBL526749 | N-butyl-3,5-dichloro-N-(2-(4-(4-met...)
Show SMILES CCCCN(CC(=O)N1C(c2cccn2-c2ccccc12)c1ccc(OC)cc1)C(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C31H29Cl2N3O3/c1-3-4-15-34(31(38)22-17-23(32)19-24(33)18-22)20-29(37)36-27-9-6-5-8-26(27)35-16-7-10-28(35)30(36)21-11-13-25(39-2)14-12-21/h5-14,16-19,30H,3-4,15,20H2,1-2H3
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 831n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane

Bioorg Med Chem Lett 19: 3471-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.010
BindingDB Entry DOI: 10.7270/Q2P55NDP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%