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PubMed code 21741835

Compile data set for download or QSAR
Found 41 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))		BDBM50350447
PNG
(CHEMBL1814329)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C23H15Cl3F3N5O2/c1-11-17(19(35)31-22(8-9-22)20-30-21(36-33-20)23(27,28)29)32-34(16-7-6-14(25)10-15(16)26)18(11)12-2-4-13(24)5-3-12/h2-7,10H,8-9H2,1H3,(H,31,35)
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n/an/a 0.100n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350458
PNG
(CHEMBL1814333)
Show SMILES OCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C23H15Cl3F3N5O3/c24-12-3-1-11(2-4-12)18-14(10-35)17(32-34(18)16-6-5-13(25)9-15(16)26)19(36)31-22(7-8-22)20-30-21(37-33-20)23(27,28)29/h1-6,9,35H,7-8,10H2,(H,31,36)
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n/an/a 0.100n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350429
PNG
(CHEMBL1814154)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C23H22BrCl2N7O/c1-5-16-19(21(34)27-23(2,3)22-28-30-31-32(22)4)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34)
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Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		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/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350449
PNG
(CHEMBL1814331)
Show SMILES CC(C)(NC(=O)c1nn(c(c1CO)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C23H17Cl3F3N5O3/c1-22(2,20-30-21(37-33-20)23(27,28)29)31-19(36)17-14(10-35)18(11-3-5-12(24)6-4-11)34(32-17)16-8-7-13(25)9-15(16)26/h3-9,35H,10H2,1-2H3,(H,31,36)
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n/an/a 0.400n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350428
PNG
(CHEMBL1814153)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C23H22Cl3N7O/c1-5-16-19(21(34)27-23(2,3)22-28-30-31-32(22)4)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34)
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n/an/a 0.5n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350448
PNG
(CHEMBL1814330)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CCC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C24H17Cl3F3N5O2/c1-12-18(20(36)32-23(9-2-10-23)21-31-22(37-34-21)24(28,29)30)33-35(17-8-7-15(26)11-16(17)27)19(12)13-3-5-14(25)6-4-13/h3-8,11H,2,9-10H2,1H3,(H,32,36)
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n/an/a 0.800n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350450
PNG
(CHEMBL1814335)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C25H17Cl3F3N5O4/c1-2-39-21(38)17-18(20(37)33-24(9-10-24)22-32-23(40-35-22)25(29,30)31)34-36(16-8-7-14(27)11-15(16)28)19(17)12-3-5-13(26)6-4-12/h3-8,11H,2,9-10H2,1H3,(H,33,37)
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n/an/a 1n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350430
PNG
(CHEMBL1814155)
Show SMILES CCCS(=O)(=O)Oc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C25H27Cl2N7O4S/c1-6-13-39(36,37)38-18-10-7-16(8-11-18)22-15(2)21(30-34(22)20-12-9-17(26)14-19(20)27)23(35)28-25(3,4)24-29-31-32-33(24)5/h7-12,14H,6,13H2,1-5H3,(H,28,35)
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n/an/a 1.10n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350436
PNG
(CHEMBL1814316)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C24H18Cl3F3N4OS/c1-12-19(21(35)32-23(2,3)22-31-18(11-36-22)24(28,29)30)33-34(17-9-8-15(26)10-16(17)27)20(12)13-4-6-14(25)7-5-13/h4-11H,1-3H3,(H,32,35)
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n/an/a 2n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350444
PNG
(CHEMBL1814326)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C23H17Cl3F3N5O2/c1-11-17(19(35)31-22(2,3)20-30-21(36-33-20)23(27,28)29)32-34(16-9-8-14(25)10-15(16)26)18(11)12-4-6-13(24)7-5-12/h4-10H,1-3H3,(H,31,35)
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n/an/a 3n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350452
PNG
(CHEMBL1814338)
Show SMILES CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NC(C)(C)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C24H19Cl3F3N5O2/c1-4-17-18(20(36)33-23(2,3)21-32-22(37-34-21)24(28,29)30)31-19(15-10-7-13(26)11-16(15)27)35(17)14-8-5-12(25)6-9-14/h5-11H,4H2,1-3H3,(H,33,36)
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n/an/a 3n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350456
PNG
(CHEMBL1814332)
Show SMILES COCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C24H19Cl3F3N5O3/c1-23(2,21-31-22(38-34-21)24(28,29)30)32-20(36)18-15(11-37-3)19(12-4-6-13(25)7-5-12)35(33-18)17-9-8-14(26)10-16(17)27/h4-10H,11H2,1-3H3,(H,32,36)
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n/an/a 4n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350432
PNG
(CHEMBL1814157)
Show SMILES CCc1c(nn(c1-c1ccc(OC)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C24H25Cl2N7O2/c1-6-17-20(22(34)27-24(2,3)23-28-30-31-32(23)4)29-33(19-12-9-15(25)13-18(19)26)21(17)14-7-10-16(35-5)11-8-14/h7-13H,6H2,1-5H3,(H,27,34)
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n/an/a 5n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350446
PNG
(CHEMBL1814328)
Show SMILES CCC(C)(NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C24H19Cl3F3N5O2/c1-4-23(3,21-31-22(37-34-21)24(28,29)30)32-20(36)18-12(2)19(13-5-7-14(25)8-6-13)35(33-18)17-10-9-15(26)11-16(17)27/h5-11H,4H2,1-3H3,(H,32,36)
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n/an/a 6n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350445
PNG
(CHEMBL1814327)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnc(o1)C(F)(F)F
Show InChI InChI=1S/C23H17Cl3F3N5O2/c1-11-17(19(35)30-22(2,3)20-31-32-21(36-20)23(27,28)29)33-34(16-9-8-14(25)10-15(16)26)18(11)12-4-6-13(24)7-5-12/h4-10H,1-3H3,(H,30,35)
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n/an/a 6n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350457
PNG
(CHEMBL1814318)
Show SMILES CCOC(=O)Cc1csc(n1)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl3N4O3S/c1-5-37-22(35)13-19-14-38-26(31-19)27(3,4)32-25(36)23-15(2)24(16-6-8-17(28)9-7-16)34(33-23)21-11-10-18(29)12-20(21)30/h6-12,14H,5,13H2,1-4H3,(H,32,36)
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n/an/a 10n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350440
PNG
(CHEMBL1814322)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1cn2ccsc2n1
Show InChI InChI=1S/C25H20Cl3N5OS/c1-14-21(23(34)30-25(2,3)20-13-32-10-11-35-24(32)29-20)31-33(19-9-8-17(27)12-18(19)28)22(14)15-4-6-16(26)7-5-15/h4-13H,1-3H3,(H,30,34)
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n/an/a 11n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350438
PNG
(CHEMBL1814320)
Show SMILES Cc1ncc(s1)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H21Cl3N4OS/c1-13-21(23(32)29-24(3,4)20-12-28-14(2)33-20)30-31(19-10-9-17(26)11-18(19)27)22(13)15-5-7-16(25)8-6-15/h5-12H,1-4H3,(H,29,32)
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n/an/a 12n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350454
PNG
(CHEMBL1814340)
Show SMILES CC(C)(NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1nnc(o1)C(F)(F)F
Show InChI InChI=1S/C22H15Cl3F3N5O2/c1-21(2,19-31-32-20(35-19)22(26,27)28)30-18(34)15-10-33(16-8-7-13(24)9-14(16)25)17(29-15)11-3-5-12(23)6-4-11/h3-10H,1-2H3,(H,30,34)
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n/an/a 13n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350435
PNG
(CHEMBL1814315)
Show SMILES Cc1csc(n1)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H21Cl3N4OS/c1-13-12-33-23(28-13)24(3,4)29-22(32)20-14(2)21(15-5-7-16(25)8-6-15)31(30-20)19-10-9-17(26)11-18(19)27/h5-12H,1-4H3,(H,29,32)
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n/an/a 15n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350455
PNG
(CHEMBL1814158)
Show SMILES CCOC(=O)c1ccc(cc1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C26H27Cl2N7O3/c1-6-18-21(23(36)29-26(3,4)25-30-32-33-34(25)5)31-35(20-13-12-17(27)14-19(20)28)22(18)15-8-10-16(11-9-15)24(37)38-7-2/h8-14H,6-7H2,1-5H3,(H,29,36)
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n/an/a 17n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
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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n/an/a 18n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350437
PNG
(CHEMBL1814317)
Show SMILES CCOC(=O)c1sc(nc1C)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl3N4O3S/c1-6-37-25(36)23-15(3)31-26(38-23)27(4,5)32-24(35)21-14(2)22(16-7-9-17(28)10-8-16)34(33-21)20-12-11-18(29)13-19(20)30/h7-13H,6H2,1-5H3,(H,32,35)
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n/an/a 22n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350431
PNG
(CHEMBL1814156)
Show SMILES CCc1c(nn(c1-c1ccc(cc1)C#N)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C24H22Cl2N8O/c1-5-17-20(22(35)28-24(2,3)23-29-31-32-33(23)4)30-34(19-11-10-16(25)12-18(19)26)21(17)15-8-6-14(13-27)7-9-15/h6-12H,5H2,1-4H3,(H,28,35)
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n/an/a 22n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350453
PNG
(CHEMBL1814339)
Show SMILES CC(C)(NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C22H15Cl3F3N5O2/c1-21(2,19-30-20(35-32-19)22(26,27)28)31-18(34)15-10-33(16-8-7-13(24)9-14(16)25)17(29-15)11-3-5-12(23)6-4-11/h3-10H,1-2H3,(H,31,34)
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n/an/a 30n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350434
PNG
(CHEMBL1814313)
Show SMILES Cn1nnnc1C(C)(C)NC(=O)c1nn(c-2c1CCCc1cc(Cl)ccc-21)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H22Cl3N7O/c1-24(2,23-29-31-32-33(23)3)28-22(35)20-17-6-4-5-13-11-14(25)7-9-16(13)21(17)34(30-20)19-10-8-15(26)12-18(19)27/h7-12H,4-6H2,1-3H3,(H,28,35)
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n/an/a 31n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350443
PNG
(CHEMBL1814325)
Show SMILES Cc1nc(no1)C(C)(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl3N5O2/c1-12-19(21(32)28-23(3,4)22-27-13(2)33-30-22)29-31(18-10-9-16(25)11-17(18)26)20(12)14-5-7-15(24)8-6-14/h5-11H,1-4H3,(H,28,32)
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n/an/a 33n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350451
PNG
(CHEMBL1814337)
Show SMILES CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C23H22Cl3N7O/c1-5-18-19(21(34)28-23(2,3)22-29-30-31-32(22)4)27-20(16-11-8-14(25)12-17(16)26)33(18)15-9-6-13(24)7-10-15/h6-12H,5H2,1-4H3,(H,28,34)
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n/an/a 36n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350426
PNG
(CHEMBL1814151)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnn(C)n1
Show InChI InChI=1S/C23H22Cl3N7O/c1-5-16-19(21(34)27-23(2,3)22-28-31-32(4)30-22)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34)
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n/an/a 39n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350442
PNG
(CHEMBL1814324)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1cn2cc(ccc2n1)C(F)(F)F
Show InChI InChI=1S/C28H21Cl3F3N5O/c1-15-24(26(40)36-27(2,3)22-14-38-13-17(28(32,33)34)6-11-23(38)35-22)37-39(21-10-9-19(30)12-20(21)31)25(15)16-4-7-18(29)8-5-16/h4-14H,1-3H3,(H,36,40)
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n/an/a 63n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350441
PNG
(CHEMBL1814323)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1cn2cc(Cl)ccc2n1
Show InChI InChI=1S/C27H21Cl4N5O/c1-15-24(26(37)33-27(2,3)22-14-35-13-19(30)9-11-23(35)32-22)34-36(21-10-8-18(29)12-20(21)31)25(15)16-4-6-17(28)7-5-16/h4-14H,1-3H3,(H,33,37)
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n/an/a 88n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350425
PNG
(CHEMBL1814150)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnn(C)n1
Show InChI InChI=1S/C22H20Cl3N7O/c1-12-18(20(33)26-22(2,3)21-27-30-31(4)29-21)28-32(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3,(H,26,33)
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n/an/a 88n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350439
PNG
(CHEMBL1814321)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1cn2cccnc2n1
Show InChI InChI=1S/C26H21Cl3N6O/c1-15-22(24(36)32-26(2,3)21-14-34-12-4-11-30-25(34)31-21)33-35(20-10-9-18(28)13-19(20)29)23(15)16-5-7-17(27)8-6-16/h4-14H,1-3H3,(H,32,36)
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n/an/a 121n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350427
PNG
(CHEMBL1814152)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C22H20Cl3N7O/c1-12-18(20(33)26-22(2,3)21-27-29-30-31(21)4)28-32(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3,(H,26,33)
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n/an/a 145n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50350433
PNG
(CHEMBL1814161)
Show SMILES CCc1c(nn(c1-c1ccc(OCC(O)=O)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C25H25Cl2N7O4/c1-5-17-21(23(37)28-25(2,3)24-29-31-32-33(24)4)30-34(19-11-8-15(26)12-18(19)27)22(17)14-6-9-16(10-7-14)38-13-20(35)36/h6-12H,5,13H2,1-4H3,(H,28,37)(H,35,36)
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n/an/a>1.00E+3n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 1.98E+3n/an/an/an/a7.4n/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in CHO cells at pH 7.4 after 1 hr by liquid scintillation counting

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 2.79E+3n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of pottasium channel current after 5 mins by patch clamp assay

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50350429
PNG
(CHEMBL1814154)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1nnnn1C
Show InChI InChI=1S/C23H22BrCl2N7O/c1-5-16-19(21(34)27-23(2,3)22-28-30-31-32(22)4)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34)
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n/an/a 2.27E+4n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of pottasium channel current after 5 mins by patch clamp assay

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50350449
PNG
(CHEMBL1814331)
Show SMILES CC(C)(NC(=O)c1nn(c(c1CO)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C23H17Cl3F3N5O3/c1-22(2,20-30-21(37-33-20)23(27,28)29)31-19(36)17-14(10-35)18(11-3-5-12(24)6-4-11)34(32-17)16-8-7-13(25)9-15(16)26/h3-9,35H,10H2,1-2H3,(H,31,36)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of pottasium channel current after 5 mins by patch clamp assay

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50350447
PNG
(CHEMBL1814329)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1(CC1)c1noc(n1)C(F)(F)F
Show InChI InChI=1S/C23H15Cl3F3N5O2/c1-11-17(19(35)31-22(8-9-22)20-30-21(36-33-20)23(27,28)29)32-34(16-7-6-14(25)10-15(16)26)18(11)12-2-4-13(24)5-3-12/h2-7,10H,8-9H2,1H3,(H,31,35)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of pottasium channel current after 5 mins by patch clamp assay

Bioorg Med Chem Lett 21: 4913-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.017
BindingDB Entry DOI: 10.7270/Q2SJ1KZ7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%