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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'tutt' and Initial = 'mf'   
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))
BDBM50297592
PNG
(1-(cyclopropylmethyl)-5-(methylsulfonyl)-2-neopent...)
Show SMILES CC(C)(C)Cc1nc2CN(CCc2n1CC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C16H27N3O2S/c1-16(2,3)9-15-17-13-11-18(22(4,20)21)8-7-14(13)19(15)10-12-5-6-12/h12H,5-11H2,1-4H3
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n/an/an/an/a 439n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354863
PNG
(CHEMBL1834544)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(O)c(Cl)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H35ClF2O7S/c1-32-10-9-20(40)11-24(32)26(37)13-23-22-14-30-35(29(43)16-39,33(22,2)15-28(42)34(23,32)38)45-31(44-30)19-5-3-18(4-6-19)17-46-21-7-8-27(41)25(36)12-21/h3-12,22-23,26,28,30-31,39,41-42H,13-17H2,1-2H3/t22-,23-,26-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 2.97n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297594
PNG
(1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-2...)
Show SMILES COCCS(=O)(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1
Show InChI InChI=1S/C18H31N3O3S/c1-18(2,3)11-17-19-15-13-20(25(22,23)10-9-24-4)8-7-16(15)21(17)12-14-5-6-14/h14H,5-13H2,1-4H3
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n/an/an/an/a 21.5n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297595
PNG
(2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyeth...)
Show SMILES COCCS(=O)(=O)N1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C
Show InChI InChI=1S/C17H29N3O3S/c1-17(2,3)16-18-14-12-19(24(21,22)10-9-23-4)8-7-15(14)20(16)11-13-5-6-13/h13H,5-12H2,1-4H3
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n/an/an/an/a 26.7n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297596
PNG
(5-(benzylsulfonyl)-1-(cyclopropylmethyl)-2-neopent...)
Show SMILES CC(C)(C)Cc1nc2CN(CCc2n1CC1CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)13-21-23-19-15-24(12-11-20(19)25(21)14-17-9-10-17)28(26,27)16-18-7-5-4-6-8-18/h4-8,17H,9-16H2,1-3H3
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n/an/an/an/a 13.4n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297597
PNG
(4-(2-tert-butyl-1-(cyclopropylmethyl)-6,7-dihydro-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H28N4O3S/c1-12-17(13(2)26-21-12)27(24,25)22-9-8-16-15(11-22)20-18(19(3,4)5)23(16)10-14-6-7-14/h14H,6-11H2,1-5H3
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n/an/an/an/a 5.10n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297598
PNG
(1-(1-(cyclopropylmethyl)-2-neopentyl-6,7-dihydro-1...)
Show SMILES CCCCC(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1
Show InChI InChI=1S/C20H33N3O/c1-5-6-7-19(24)22-11-10-17-16(14-22)21-18(12-20(2,3)4)23(17)13-15-8-9-15/h15H,5-14H2,1-4H3
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n/an/an/an/a 1.02E+3n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297599
PNG
(CHEMBL562149 | N-benzyl-2-tert-butyl-1-(cyclopropy...)
Show SMILES CN(Cc1ccccc1)C(=O)N1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C
Show InChI InChI=1S/C23H32N4O/c1-23(2,3)21-24-19-16-26(13-12-20(19)27(21)15-18-10-11-18)22(28)25(4)14-17-8-6-5-7-9-17/h5-9,18H,10-16H2,1-4H3
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n/an/an/an/a 637n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297600
PNG
(CHEMBL564065 | N-benzyl-1-(cyclopropylmethyl)-N-me...)
Show SMILES CN(Cc1ccccc1)C(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1
Show InChI InChI=1S/C24H34N4O/c1-24(2,3)14-22-25-20-17-27(13-12-21(20)28(22)16-19-10-11-19)23(29)26(4)15-18-8-6-5-7-9-18/h5-9,19H,10-17H2,1-4H3
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n/an/an/an/a 523n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297601
PNG
(1-(2-tert-butyl-1-(cyclopropylmethyl)-6,7-dihydro-...)
Show SMILES CC(C)(C)C(=O)N1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H31N3O/c1-18(2,3)16-20-14-12-21(17(23)19(4,5)6)10-9-15(14)22(16)11-13-7-8-13/h13H,7-12H2,1-6H3
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n/an/an/an/a 320n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297602
PNG
(5-(benzylsulfonyl)-2-tert-butyl-1-(cyclopropylmeth...)
Show SMILES CC(C)(C)c1nc2CN(CCc2n1CC1CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H29N3O2S/c1-21(2,3)20-22-18-14-23(12-11-19(18)24(20)13-16-9-10-16)27(25,26)15-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3
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n/an/an/an/a 21.8n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297603
PNG
(1-(cyclopropylmethyl)-2-neopentyl-5-(pyridin-3-yls...)
Show SMILES CC(C)(C)Cc1nc2CN(CCc2n1CC1CC1)S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C20H28N4O2S/c1-20(2,3)11-19-22-17-14-23(27(25,26)16-5-4-9-21-12-16)10-8-18(17)24(19)13-15-6-7-15/h4-5,9,12,15H,6-8,10-11,13-14H2,1-3H3
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n/an/an/an/a 24.5n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297604
PNG
(2-tert-butyl-1-(cyclopropylmethyl)-5-(pyridin-3-yl...)
Show SMILES CC(C)(C)c1nc2CN(CCc2n1CC1CC1)S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C19H26N4O2S/c1-19(2,3)18-21-16-13-22(26(24,25)15-5-4-9-20-11-15)10-8-17(16)23(18)12-14-6-7-14/h4-5,9,11,14H,6-8,10,12-13H2,1-3H3
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n/an/an/an/a 14.2n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297605
PNG
(1-(cyclopropylmethyl)-2-neopentyl-5-(phenylsulfony...)
Show SMILES CC(C)(C)Cc1nc2CN(CCc2n1CC1CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H29N3O2S/c1-21(2,3)13-20-22-18-15-23(27(25,26)17-7-5-4-6-8-17)12-11-19(18)24(20)14-16-9-10-16/h4-8,16H,9-15H2,1-3H3
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n/an/an/an/a 9.10n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297606
PNG
(2-tert-butyl-1-(cyclopropylmethyl)-5-(phenylsulfon...)
Show SMILES CC(C)(C)c1nc2CN(CCc2n1CC1CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27N3O2S/c1-20(2,3)19-21-17-14-22(26(24,25)16-7-5-4-6-8-16)12-11-18(17)23(19)13-15-9-10-15/h4-8,15H,9-14H2,1-3H3
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n/an/an/an/a 7.90n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297607
PNG
(4-(1-(cyclopropylmethyl)-2-neopentyl-6,7-dihydro-1...)
Show SMILES Cc1nocc1S(=O)(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1
Show InChI InChI=1S/C19H28N4O3S/c1-13-17(12-26-21-13)27(24,25)22-8-7-16-15(11-22)20-18(9-19(2,3)4)23(16)10-14-5-6-14/h12,14H,5-11H2,1-4H3
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n/an/an/an/a 18.5n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297608
PNG
(4-(2-tert-butyl-1-(cyclopropylmethyl)-6,7-dihydro-...)
Show SMILES Cc1nocc1S(=O)(=O)N1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C
Show InChI InChI=1S/C18H26N4O3S/c1-12-16(11-25-20-12)26(23,24)21-8-7-15-14(10-21)19-17(18(2,3)4)22(15)9-13-5-6-13/h11,13H,5-10H2,1-4H3
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n/an/an/an/a 55.4n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297609
PNG
(4-(1-(cyclopropylmethyl)-2-neopentyl-6,7-dihydro-1...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1
Show InChI InChI=1S/C20H30N4O3S/c1-13-19(14(2)27-22-13)28(25,26)23-9-8-17-16(12-23)21-18(10-20(3,4)5)24(17)11-15-6-7-15/h15H,6-12H2,1-5H3
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n/an/an/an/a 7n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297610
PNG
(2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-prop...)
Show SMILES CCCN(C)C(=O)N1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H32N4O/c1-6-10-21(5)18(24)22-11-9-16-15(13-22)20-17(19(2,3)4)23(16)12-14-7-8-14/h14H,6-13H2,1-5H3
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n/an/an/an/a 380n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297611
PNG
(2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-4,5,6,...)
Show SMILES CCCCCN1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H33N3/c1-5-6-7-11-21-12-10-17-16(14-21)20-18(19(2,3)4)22(17)13-15-8-9-15/h15H,5-14H2,1-4H3
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n/an/an/an/a 878n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297612
PNG
(1-(cyclopropylmethyl)-2-neopentyl-5-pentyl-4,5,6,7...)
Show SMILES CCCCCN1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1
Show InChI InChI=1S/C20H35N3/c1-5-6-7-11-22-12-10-18-17(15-22)21-19(13-20(2,3)4)23(18)14-16-8-9-16/h16H,5-15H2,1-4H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297613
PNG
(CHEMBL561890 | propyl 1-(cyclopropylmethyl)-2-neop...)
Show SMILES CCCOC(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1
Show InChI InChI=1S/C19H31N3O2/c1-5-10-24-18(23)21-9-8-16-15(13-21)20-17(11-19(2,3)4)22(16)12-14-6-7-14/h14H,5-13H2,1-4H3
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n/an/an/an/a 560n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297614
PNG
(5-((5-bromo-2-methoxypyridin-3-yl)methyl)-2-tert-b...)
Show SMILES COc1ncc(Br)cc1CN1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C
Show InChI InChI=1S/C21H29BrN4O/c1-21(2,3)20-24-17-13-25(8-7-18(17)26(20)11-14-5-6-14)12-15-9-16(22)10-23-19(15)27-4/h9-10,14H,5-8,11-13H2,1-4H3
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n/an/an/an/a 295n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50297597
PNG
(4-(2-tert-butyl-1-(cyclopropylmethyl)-6,7-dihydro-...)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H28N4O3S/c1-12-17(13(2)26-21-12)27(24,25)22-9-8-16-15(11-22)20-18(19(3,4)5)23(16)10-14-6-7-14/h14H,6-11H2,1-5H3
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n/an/an/an/a 7.50E+3n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50297608
PNG
(4-(2-tert-butyl-1-(cyclopropylmethyl)-6,7-dihydro-...)
Show SMILES Cc1nocc1S(=O)(=O)N1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C
Show InChI InChI=1S/C18H26N4O3S/c1-12-16(11-25-20-12)26(23,24)21-8-7-15-14(10-21)19-17(18(2,3)4)22(15)9-13-5-6-13/h11,13H,5-10H2,1-4H3
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n/an/an/an/a 1.80E+4n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50297594
PNG
(1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-2...)
Show SMILES COCCS(=O)(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1
Show InChI InChI=1S/C18H31N3O3S/c1-18(2,3)11-17-19-15-13-20(25(22,23)10-9-24-4)8-7-16(15)21(17)12-14-5-6-14/h14H,5-13H2,1-4H3
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n/an/an/an/a 1.40E+4n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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n/an/an/an/a 1.09n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354850
PNG
(BUDESONIDE | US10869929, Compound Budesonide | US1...)
Show SMILES CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:15,t:11|
Show InChI InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
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n/an/an/an/a 12.4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354851
PNG
(FLUTICASONE FUROATE | Veramyst)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF |r,c:12,t:8|
Show InChI InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1
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n/an/an/an/a 0.490n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354852
PNG
(CHEMBL1834533)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccccc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H36F2O6/c1-32-13-12-23(39)15-26(32)27(36)16-25-24-17-30-35(29(41)19-38,33(24,2)18-28(40)34(25,32)37)43-31(42-30)22-10-8-21(9-11-22)14-20-6-4-3-5-7-20/h3-13,15,24-25,27-28,30-31,38,40H,14,16-19H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 0.780n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354853
PNG
(CHEMBL1834534)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccccc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C34H34F2O7/c1-31-13-12-20(38)14-25(31)26(35)15-24-23-16-29-34(28(40)18-37,32(23,2)17-27(39)33(24,31)36)43-30(42-29)19-8-10-22(11-9-19)41-21-6-4-3-5-7-21/h3-14,23-24,26-27,29-30,37,39H,15-18H2,1-2H3/t23-,24-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354854
PNG
(CHEMBL1834535)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(cc1)-c1ccccc1 |r,c:15,t:11|
Show InChI InChI=1S/C34H34F2O6/c1-31-13-12-22(38)14-25(31)26(35)15-24-23-16-29-34(28(40)18-37,32(23,2)17-27(39)33(24,31)36)42-30(41-29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-14,23-24,26-27,29-30,37,39H,15-18H2,1-2H3/t23-,24-,26-,27-,29+,30+,31-,32-,33-,34+/m0/s1
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n/an/an/an/a 8.78n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354855
PNG
(CHEMBL1834536)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CN2CCOCC2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C33H39F2NO7/c1-30-8-7-21(38)13-24(30)25(34)14-23-22-15-28-33(27(40)18-37,31(22,2)16-26(39)32(23,30)35)43-29(42-28)20-5-3-19(4-6-20)17-36-9-11-41-12-10-36/h3-8,13,22-23,25-26,28-29,37,39H,9-12,14-18H2,1-2H3/t22-,23-,25-,26-,28+,29+,30-,31-,32-,33+/m0/s1
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n/an/an/an/a 0.710n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354856
PNG
(CHEMBL1834537)
Show SMILES CSc1cccc(Sc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)c1 |r,c:28,t:24|
Show InChI InChI=1S/C35H36F2O6S2/c1-32-12-11-20(39)13-26(32)27(36)15-25-24-16-30-35(29(41)18-38,33(24,2)17-28(40)34(25,32)37)43-31(42-30)19-7-9-21(10-8-19)45-23-6-4-5-22(14-23)44-3/h4-14,24-25,27-28,30-31,38,40H,15-18H2,1-3H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 3.93n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354857
PNG
(CHEMBL1834538)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)cc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H36F2O7/c1-32-12-11-23(40)14-26(32)27(36)15-25-24-16-30-35(29(42)18-38,33(24,2)17-28(41)34(25,32)37)44-31(43-30)21-7-3-19(4-8-21)13-20-5-9-22(39)10-6-20/h3-12,14,24-25,27-28,30-31,38-39,41H,13,15-18H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 0.380n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354858
PNG
(CHEMBL1834539)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(=O)[nH]n2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C32H32F2N2O8/c1-29-10-9-17(38)11-21(29)22(33)12-20-19-13-25-32(24(40)15-37,30(19,2)14-23(39)31(20,29)34)44-28(43-25)16-3-5-18(6-4-16)42-27-8-7-26(41)35-36-27/h3-11,19-20,22-23,25,28,37,39H,12-15H2,1-2H3,(H,35,41)/t19-,20-,22-,23-,25+,28+,29-,30-,31-,32+/m0/s1
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n/an/an/an/a 21.1n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354859
PNG
(CHEMBL1834540)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(SCc2ccccc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H36F2O6S/c1-32-13-12-22(39)14-26(32)27(36)15-25-24-16-30-35(29(41)18-38,33(24,2)17-28(40)34(25,32)37)43-31(42-30)21-8-10-23(11-9-21)44-19-20-6-4-3-5-7-20/h3-14,24-25,27-28,30-31,38,40H,15-19H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 7.35n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354860
PNG
(CHEMBL1834541)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccccc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H36F2O6S/c1-32-13-12-22(39)14-26(32)27(36)15-25-24-16-30-35(29(41)18-38,33(24,2)17-28(40)34(25,32)37)43-31(42-30)21-10-8-20(9-11-21)19-44-23-6-4-3-5-7-23/h3-14,24-25,27-28,30-31,38,40H,15-19H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 1.75n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354861
PNG
(CHEMBL1834542)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(O)cc2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H36F2O7S/c1-32-12-11-22(40)13-26(32)27(36)14-25-24-15-30-35(29(42)17-38,33(24,2)16-28(41)34(25,32)37)44-31(43-30)20-5-3-19(4-6-20)18-45-23-9-7-21(39)8-10-23/h3-13,24-25,27-28,30-31,38-39,41H,14-18H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 1.87n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354862
PNG
(CHEMBL1834543)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(O)c2)cc1 |r,c:15,t:11|
Show InChI InChI=1S/C35H36F2O7S/c1-32-11-10-22(40)13-26(32)27(36)14-25-24-15-30-35(29(42)17-38,33(24,2)16-28(41)34(25,32)37)44-31(43-30)20-8-6-19(7-9-20)18-45-23-5-3-4-21(39)12-23/h3-13,24-25,27-28,30-31,38-39,41H,14-18H2,1-2H3/t24-,25-,27-,28-,30+,31+,32-,33-,34-,35+/m0/s1
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n/an/an/an/a 2.82n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 5826-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.106
BindingDB Entry DOI: 10.7270/Q22V2GH4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50297593
PNG
(2-tert-butyl-1-(cyclopropylmethyl)-5-(methylsulfon...)
Show SMILES CC(C)(C)c1nc2CN(CCc2n1CC1CC1)S(C)(=O)=O
Show InChI InChI=1S/C15H25N3O2S/c1-15(2,3)14-16-12-10-17(21(4,19)20)8-7-13(12)18(14)9-11-5-6-11/h11H,5-10H2,1-4H3
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n/an/an/an/a 403n/an/an/an/a



Pfizer Discovery Chemistry

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release


Bioorg Med Chem Lett 19: 4406-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.062
BindingDB Entry DOI: 10.7270/Q28G8KRV
More data for this
Ligand-Target Pair