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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'alauddin' and Initial = 'm'   
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 2


(Homo sapiens (human))
BDBM50353092
PNG
(CHEMBL1822945)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27N3O4/c1-3-4-5-14-30-21-19(29-2)7-6-17-15-18(23(28)26-20(17)21)22(27)25-13-10-16-8-11-24-12-9-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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0.0100n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353089
PNG
(CHEMBL1822939)
Show SMILES CCCCCc1cc2cc(C(=O)OC)c(=O)[nH]c2c(O)c1OC
Show InChI InChI=1S/C17H21NO5/c1-4-5-6-7-10-8-11-9-12(17(21)23-3)16(20)18-13(11)14(19)15(10)22-2/h8-9,19H,4-7H2,1-3H3,(H,18,20)
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0.0140n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353091
PNG
(CHEMBL1822944)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
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0.0200n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353086
PNG
(CHEMBL1822940)
Show SMILES CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H23FN2O4/c1-3-12-29-20-18(28-2)9-6-15-13-17(22(27)25-19(15)20)21(26)24-11-10-14-4-7-16(23)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,24,26)(H,25,27)
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0.0210n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353093
PNG
(CHEMBL1822946)
Show SMILES CCCCOc1c(OC)ccc2cc(C(O)=O)c(=O)[nH]c12
Show InChI InChI=1S/C15H17NO5/c1-3-4-7-21-13-11(20-2)6-5-9-8-10(15(18)19)14(17)16-12(9)13/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)
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0.0320n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353087
PNG
(CHEMBL1822941)
Show SMILES CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c(O)c1OC
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-6-16-13-17-14-19(24(30)27-20(17)21(28)22(16)31-2)23(29)26-12-11-15-7-9-18(25)10-8-15/h7-10,13-14,28H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30)
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0.0360n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353088
PNG
(CHEMBL1822942)
Show SMILES CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c2c(O)c1OC
Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-7-17-14-18-15-20(25(31)28(2)21(18)22(29)23(17)32-3)24(30)27-13-12-16-8-10-19(26)11-9-16/h8-11,14-15,29H,4-7,12-13H2,1-3H3,(H,27,30)
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0.0430n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353090
PNG
(CHEMBL1822943)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
Show InChI InChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
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0.0850n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM85739
PNG
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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0.0870n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353078
PNG
(CHEMBL1822932)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCC(F)c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H25FN2O4/c1-3-4-12-30-21-19(29-2)11-10-16-13-17(23(28)26-20(16)21)22(27)25-14-18(24)15-8-6-5-7-9-15/h5-11,13,18H,3-4,12,14H2,1-2H3,(H,25,27)(H,26,28)
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0.800n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353079
PNG
(CHEMBL1822933)
Show SMILES CCCCOc1c(OC)c(cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12)[N+]([O-])=O
Show InChI InChI=1S/C23H24FN3O6/c1-3-4-11-33-21-19-15(13-18(27(30)31)20(21)32-2)12-17(23(29)26-19)22(28)25-10-9-14-5-7-16(24)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,25,28)(H,26,29)
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1.40n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353076
PNG
(CHEMBL1822930)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H25FN2O4/c1-3-4-13-30-21-19(29-2)10-7-16-14-18(23(28)26-20(16)21)22(27)25-12-11-15-5-8-17(24)9-6-15/h5-10,14H,3-4,11-13H2,1-2H3,(H,25,27)(H,26,28)
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2.40n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353074
PNG
(CHEMBL1822928)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H23FN2O4/c1-3-4-11-29-20-18(28-2)10-7-15-12-17(22(27)25-19(15)20)21(26)24-13-14-5-8-16(23)9-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,26)(H,25,27)
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2.80n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353075
PNG
(CHEMBL1822929)
Show SMILES COc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OC
Show InChI InChI=1S/C20H19FN2O4/c1-26-16-8-5-13-11-15(20(25)23-17(13)18(16)27-2)19(24)22-10-9-12-3-6-14(21)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,24)(H,23,25)
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5n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50234418
PNG
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
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14n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50265755
PNG
((6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylhe...)
Show SMILES CCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-8-9-10-13-24(3,4)18-15-21(26-7)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m1/s1
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18n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353077
PNG
(CHEMBL1822931)
Show SMILES COc1ccc2cc(C(=O)NCC(F)c3ccccc3)c(=O)[nH]c2c1OC
Show InChI InChI=1S/C20H19FN2O4/c1-26-16-9-8-13-10-14(20(25)23-17(13)18(16)27-2)19(24)22-11-15(21)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3,(H,22,24)(H,23,25)
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22n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353085
PNG
(CHEMBL1822926)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c(C2CCCC(C)(O)C2)c(OC)c1
Show InChI InChI=1S/C24H40O3/c1-7-8-9-10-13-23(2,3)19-15-20(26-5)22(21(16-19)27-6)18-12-11-14-24(4,25)17-18/h15-16,18,25H,7-14,17H2,1-6H3
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23n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353082
PNG
(CHEMBL1822936)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCCF)c(=O)[nH]c12
Show InChI InChI=1S/C18H23FN2O4/c1-3-4-10-25-16-14(24-2)7-6-12-11-13(18(23)21-15(12)16)17(22)20-9-5-8-19/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,22)(H,21,23)
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58n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353081
PNG
(CHEMBL1822935)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCF)c(=O)[nH]c12
Show InChI InChI=1S/C17H21FN2O4/c1-3-4-9-24-15-13(23-2)6-5-11-10-12(16(21)19-8-7-18)17(22)20-14(11)15/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,21)(H,20,22)
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486n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353083
PNG
(CHEMBL1822937)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCc3cn(CCF)nn3)c(=O)[nH]c12
Show InChI InChI=1S/C20H24FN5O4/c1-3-4-9-30-18-16(29-2)6-5-13-10-15(20(28)23-17(13)18)19(27)22-11-14-12-26(8-7-21)25-24-14/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,22,27)(H,23,28)
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620n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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677n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353084
PNG
(CHEMBL1822938)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCc3cn(CCF)nn3)c(=O)[nH]c12
Show InChI InChI=1S/C21H26FN5O4/c1-3-4-11-31-19-17(30-2)6-5-14-12-16(21(29)24-18(14)19)20(28)23-9-7-15-13-27(10-8-22)26-25-15/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,23,28)(H,24,29)
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2.40E+3n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50265755
PNG
((6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylhe...)
Show SMILES CCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-8-9-10-13-24(3,4)18-15-21(26-7)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m1/s1
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3.13E+3n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353085
PNG
(CHEMBL1822926)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c(C2CCCC(C)(O)C2)c(OC)c1
Show InChI InChI=1S/C24H40O3/c1-7-8-9-10-13-23(2,3)19-15-20(26-5)22(21(16-19)27-6)18-12-11-14-24(4,25)17-18/h15-16,18,25H,7-14,17H2,1-6H3
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5.06E+3n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353080
PNG
(CHEMBL1822934)
Show SMILES COc1ccc2cc(C(=O)NCCF)c(=O)[nH]c2c1OC
Show InChI InChI=1S/C14H15FN2O4/c1-20-10-4-3-8-7-9(13(18)16-6-5-15)14(19)17-11(8)12(10)21-2/h3-4,7H,5-6H2,1-2H3,(H,16,18)(H,17,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353073
PNG
(CHEMBL1822927)
Show SMILES COc1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=O)[nH]c2c1OC
Show InChI InChI=1S/C19H17FN2O4/c1-25-15-8-5-12-9-14(19(24)22-16(12)17(15)26-2)18(23)21-10-11-3-6-13(20)7-4-11/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353084
PNG
(CHEMBL1822938)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCc3cn(CCF)nn3)c(=O)[nH]c12
Show InChI InChI=1S/C21H26FN5O4/c1-3-4-11-31-19-17(30-2)6-5-14-12-16(21(29)24-18(14)19)20(28)23-9-7-15-13-27(10-8-22)26-25-15/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,23,28)(H,24,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353073
PNG
(CHEMBL1822927)
Show SMILES COc1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=O)[nH]c2c1OC
Show InChI InChI=1S/C19H17FN2O4/c1-25-15-8-5-12-9-14(19(24)22-16(12)17(15)26-2)18(23)21-10-11-3-6-13(20)7-4-11/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353074
PNG
(CHEMBL1822928)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H23FN2O4/c1-3-4-11-29-20-18(28-2)10-7-15-12-17(22(27)25-19(15)20)21(26)24-13-14-5-8-16(23)9-6-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,26)(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353083
PNG
(CHEMBL1822937)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCc3cn(CCF)nn3)c(=O)[nH]c12
Show InChI InChI=1S/C20H24FN5O4/c1-3-4-9-30-18-16(29-2)6-5-13-10-15(20(28)23-17(13)18)19(27)22-11-14-12-26(8-7-21)25-24-14/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,22,27)(H,23,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353082
PNG
(CHEMBL1822936)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCCF)c(=O)[nH]c12
Show InChI InChI=1S/C18H23FN2O4/c1-3-4-10-25-16-14(24-2)7-6-12-11-13(18(23)21-15(12)16)17(22)20-9-5-8-19/h6-7,11H,3-5,8-10H2,1-2H3,(H,20,22)(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353081
PNG
(CHEMBL1822935)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCF)c(=O)[nH]c12
Show InChI InChI=1S/C17H21FN2O4/c1-3-4-9-24-15-13(23-2)6-5-11-10-12(16(21)19-8-7-18)17(22)20-14(11)15/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,21)(H,20,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353080
PNG
(CHEMBL1822934)
Show SMILES COc1ccc2cc(C(=O)NCCF)c(=O)[nH]c2c1OC
Show InChI InChI=1S/C14H15FN2O4/c1-20-10-4-3-8-7-9(13(18)16-6-5-15)14(19)17-11(8)12(10)21-2/h3-4,7H,5-6H2,1-2H3,(H,16,18)(H,17,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353079
PNG
(CHEMBL1822933)
Show SMILES CCCCOc1c(OC)c(cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12)[N+]([O-])=O
Show InChI InChI=1S/C23H24FN3O6/c1-3-4-11-33-21-19-15(13-18(27(30)31)20(21)32-2)12-17(23(29)26-19)22(28)25-10-9-14-5-7-16(24)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,25,28)(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353078
PNG
(CHEMBL1822932)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCC(F)c3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H25FN2O4/c1-3-4-12-30-21-19(29-2)11-10-16-13-17(23(28)26-20(16)21)22(27)25-14-18(24)15-8-6-5-7-9-15/h5-11,13,18H,3-4,12,14H2,1-2H3,(H,25,27)(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353077
PNG
(CHEMBL1822931)
Show SMILES COc1ccc2cc(C(=O)NCC(F)c3ccccc3)c(=O)[nH]c2c1OC
Show InChI InChI=1S/C20H19FN2O4/c1-26-16-9-8-13-10-14(20(25)23-17(13)18(16)27-2)19(24)22-11-15(21)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3,(H,22,24)(H,23,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353076
PNG
(CHEMBL1822930)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H25FN2O4/c1-3-4-13-30-21-19(29-2)10-7-16-14-18(23(28)26-20(16)21)22(27)25-12-11-15-5-8-17(24)9-6-15/h5-10,14H,3-4,11-13H2,1-2H3,(H,25,27)(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353075
PNG
(CHEMBL1822929)
Show SMILES COc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OC
Show InChI InChI=1S/C20H19FN2O4/c1-26-16-8-5-13-11-15(20(25)23-17(13)18(16)27-2)19(24)22-10-9-12-3-6-14(21)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,24)(H,23,25)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353086
PNG
(CHEMBL1822940)
Show SMILES CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H23FN2O4/c1-3-12-29-20-18(28-2)9-6-15-13-17(22(27)25-19(15)20)21(26)24-11-10-14-4-7-16(23)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,24,26)(H,25,27)
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PubMed
3.36E+5n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353088
PNG
(CHEMBL1822942)
Show SMILES CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c2c(O)c1OC
Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-7-17-14-18-15-20(25(31)28(2)21(18)22(29)23(17)32-3)24(30)27-13-12-16-8-10-19(26)11-9-16/h8-11,14-15,29H,4-7,12-13H2,1-3H3,(H,27,30)
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PubMed
8.64E+5n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50353087
PNG
(CHEMBL1822941)
Show SMILES CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c(O)c1OC
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-6-16-13-17-14-19(24(30)27-20(17)21(28)22(16)31-2)23(29)26-12-11-15-7-9-18(25)10-8-15/h7-10,13-14,28H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30)
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2.40E+6n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 116n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) phosphorylation by spectrophotometric assay


Bioorg Med Chem 22: 623-32 (2013)


Article DOI: 10.1016/j.bmc.2013.10.040
BindingDB Entry DOI: 10.7270/Q27S7Q76
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50444656
PNG
(CHEMBL3098614)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccc(I)cc4)CC3)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C35H34IN7O/c1-25-4-13-31(21-33(25)41-35-38-16-14-32(40-35)29-3-2-15-37-22-29)39-34(44)28-9-5-26(6-10-28)23-42-17-19-43(20-18-42)24-27-7-11-30(36)12-8-27/h2-16,21-22H,17-20,23-24H2,1H3,(H,39,44)(H,38,40,41)
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n/an/a 740n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) phosphorylation by spectrophotometric assay


Bioorg Med Chem 22: 623-32 (2013)


Article DOI: 10.1016/j.bmc.2013.10.040
BindingDB Entry DOI: 10.7270/Q27S7Q76
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50444658
PNG
(CHEMBL3098616)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(CCF)CC3)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C30H32FN7O/c1-22-4-9-26(19-28(22)36-30-33-13-10-27(35-30)25-3-2-12-32-20-25)34-29(39)24-7-5-23(6-8-24)21-38-17-15-37(14-11-31)16-18-38/h2-10,12-13,19-20H,11,14-18,21H2,1H3,(H,34,39)(H,33,35,36)
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n/an/a 1.38E+3n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) phosphorylation by spectrophotometric assay


Bioorg Med Chem 22: 623-32 (2013)


Article DOI: 10.1016/j.bmc.2013.10.040
BindingDB Entry DOI: 10.7270/Q27S7Q76
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50444657
PNG
(CHEMBL3098615)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCN(CCO)CC3)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C30H33N7O2/c1-22-4-9-26(19-28(22)35-30-32-12-10-27(34-30)25-3-2-11-31-20-25)33-29(39)24-7-5-23(6-8-24)21-37-15-13-36(14-16-37)17-18-38/h2-12,19-20,38H,13-18,21H2,1H3,(H,33,39)(H,32,34,35)
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n/an/a 7.08E+3n/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl (unknown origin) phosphorylation by spectrophotometric assay


Bioorg Med Chem 22: 623-32 (2013)


Article DOI: 10.1016/j.bmc.2013.10.040
BindingDB Entry DOI: 10.7270/Q27S7Q76
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50454517
PNG
(CHEMBL3137984)
Show SMILES CN(C)C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C24H41NO2/c1-16(26)19-8-9-20-18-7-6-17-14-24(27,15-25(4)5)13-12-22(17,2)21(18)10-11-23(19,20)3/h17-21,27H,6-15H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50191342
PNG
(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/an/a 160n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50055919
PNG
(1-((3R,5S,10S,13S,17S)-3-Azidomethyl-3-hydroxy-10,...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CN=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H35N3O2/c1-14(26)17-6-7-18-16-5-4-15-12-22(27,13-24-25-23)11-10-20(15,2)19(16)8-9-21(17,18)3/h15-19,27H,4-13H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+,22+/m0/s1
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n/an/an/an/a 150n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
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