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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'fioni' and Initial = 'a'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455953
PNG
(CHEMBL4204358)
Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)c1ccccc1 |r,c:27,t:23|
Show InChI InChI=1S/C29H33F2NO4/c1-26-9-8-19(34)11-22(26)23(30)12-21-20-10-17-14-32(18-6-4-3-5-7-18)16-28(17,25(36)15-33)27(20,2)13-24(35)29(21,26)31/h3-9,11,17,20-21,23-24,33,35H,10,12-16H2,1-2H3/t17-,20-,21-,23-,24-,26-,27-,28+,29-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
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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0.510n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50456008
PNG
(CHEMBL4216231)
Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)c1cccc(Cl)c1 |r,c:27,t:23|
Show InChI InChI=1S/C29H32ClF2NO4/c1-26-7-6-19(35)10-22(26)23(31)11-21-20-8-16-13-33(18-5-3-4-17(30)9-18)15-28(16,25(37)14-34)27(20,2)12-24(36)29(21,26)32/h3-7,9-10,16,20-21,23-24,34,36H,8,11-15H2,1-2H3/t16-,20-,21-,23-,24-,26-,27-,28+,29-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455909
PNG
(CHEMBL4214152)
Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)c1ccccc1 |r,c:27,t:23|
Show InChI InChI=1S/C29H32F3NO3/c1-26-9-8-19(34)11-22(26)23(31)12-21-20-10-17-15-33(18-6-4-3-5-7-18)16-28(17,25(36)14-30)27(20,2)13-24(35)29(21,26)32/h3-9,11,17,20-21,23-24,35H,10,12-16H2,1-2H3/t17-,20-,21-,23-,24-,26-,27-,28+,29-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50456007
PNG
(CHEMBL4208957)
Show SMILES [H][C@]12CN(Cc3ccc(C)cc3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32|
Show InChI InChI=1S/C31H37F2NO4/c1-18-4-6-19(7-5-18)14-34-15-20-10-22-23-12-25(32)24-11-21(36)8-9-28(24,2)31(23,33)26(37)13-29(22,3)30(20,17-34)27(38)16-35/h4-9,11,20,22-23,25-26,35,37H,10,12-17H2,1-3H3/t20-,22-,23-,25-,26-,28-,29-,30+,31-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455947
PNG
(CHEMBL4202533)
Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)CF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:35,t:31|
Show InChI InChI=1S/C30H34F3NO3/c1-27-9-8-20(35)11-23(27)24(32)12-22-21-10-19-16-34(15-18-6-4-3-5-7-18)17-29(19,26(37)14-31)28(21,2)13-25(36)30(22,27)33/h3-9,11,19,21-22,24-25,36H,10,12-17H2,1-2H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455950
PNG
(CHEMBL4206713)
Show SMILES [H][C@]12CN(Cc3cccc(C)c3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32|
Show InChI InChI=1S/C31H37F2NO4/c1-18-5-4-6-19(9-18)14-34-15-20-10-22-23-12-25(32)24-11-21(36)7-8-28(24,2)31(23,33)26(37)13-29(22,3)30(20,17-34)27(38)16-35/h4-9,11,20,22-23,25-26,35,37H,10,12-17H2,1-3H3/t20-,22-,23-,25-,26-,28-,29-,30+,31-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455951
PNG
(CHEMBL4208840)
Show SMILES [H][C@]12CN(Cc3cc4ccccc4s3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:39,t:35|
Show InChI InChI=1S/C32H35F2NO4S/c1-29-8-7-20(37)11-24(29)25(33)12-23-22-10-19-14-35(15-21-9-18-5-3-4-6-26(18)40-21)17-31(19,28(39)16-36)30(22,2)13-27(38)32(23,29)34/h3-9,11,19,22-23,25,27,36,38H,10,12-17H2,1-2H3/t19-,22-,23-,25-,27-,29-,30-,31+,32-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455990
PNG
(CHEMBL4217173)
Show SMILES [H][C@]12CN(Cc3cccc(Cl)c3)C[C@@]1(C(=O)OCF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:37,t:33|
Show InChI InChI=1S/C30H33ClF3NO4/c1-27-7-6-20(36)10-23(27)24(33)11-22-21-9-18-14-35(13-17-4-3-5-19(31)8-17)15-29(18,26(38)39-16-32)28(21,2)12-25(37)30(22,27)34/h3-8,10,18,21-22,24-25,37H,9,11-16H2,1-2H3/t18-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455905
PNG
(CHEMBL4203448)
Show SMILES [H][C@]12CN(Cc3cccc(Cl)c3)C[C@@]1(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:35,t:31|
Show InChI InChI=1S/C30H34ClF2NO3/c1-17(35)29-16-34(14-18-5-4-6-20(31)9-18)15-19(29)10-22-23-12-25(32)24-11-21(36)7-8-27(24,2)30(23,33)26(37)13-28(22,29)3/h4-9,11,19,22-23,25-26,37H,10,12-16H2,1-3H3/t19-,22-,23-,25-,26-,27-,28-,29-,30-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455952
PNG
(CHEMBL4217175)
Show SMILES [H][C@]12CN(Cc3ccc(CSc4ccc(O)cc4)cc3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:45,t:41|
Show InChI InChI=1S/C37H41F2NO5S/c1-34-12-11-26(43)14-30(34)31(38)15-29-28-13-24-18-40(21-36(24,33(45)19-41)35(28,2)16-32(44)37(29,34)39)17-22-3-5-23(6-4-22)20-46-27-9-7-25(42)8-10-27/h3-12,14,24,28-29,31-32,41-42,44H,13,15-21H2,1-2H3/t24-,28-,29-,31-,32-,34-,35-,36+,37-/m0/s1
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0.620n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455949
PNG
(CHEMBL4211724)
Show SMILES [H][C@]12CN(Cc3ccc(cc3)C(F)(F)F)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:39,t:35|
Show InChI InChI=1S/C31H34F5NO4/c1-27-8-7-20(39)10-23(27)24(32)11-22-21-9-19-14-37(13-17-3-5-18(6-4-17)31(34,35)36)16-29(19,26(41)15-38)28(21,2)12-25(40)30(22,27)33/h3-8,10,19,21-22,24-25,38,40H,9,11-16H2,1-2H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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0.660n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455906
PNG
(CHEMBL4202674)
Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)C(=O)OCc1ccccc1 |r,c:27,t:23|
Show InChI InChI=1S/C31H35F2NO6/c1-28-9-8-20(36)11-23(28)24(32)12-22-21-10-19-14-34(27(39)40-16-18-6-4-3-5-7-18)17-30(19,26(38)15-35)29(21,2)13-25(37)31(22,28)33/h3-9,11,19,21-22,24-25,35,37H,10,12-17H2,1-2H3/t19-,21-,22-,24-,25-,28-,29-,30+,31-/m0/s1
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0.660n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455954
PNG
(CHEMBL4203139)
Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)S(=O)(=O)c1cccs1 |r,c:27,t:23|
Show InChI InChI=1S/C27H31F2NO6S2/c1-24-6-5-16(32)9-19(24)20(28)10-18-17-8-15-12-30(38(35,36)23-4-3-7-37-23)14-26(15,22(34)13-31)25(17,2)11-21(33)27(18,24)29/h3-7,9,15,17-18,20-21,31,33H,8,10-14H2,1-2H3/t15-,17-,18-,20-,21-,24-,25-,26+,27-/m0/s1
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0.660n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455948
PNG
(CHEMBL4204087)
Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:35,t:31|
Show InChI InChI=1S/C30H35F2NO4/c1-27-9-8-20(35)11-23(27)24(31)12-22-21-10-19-15-33(14-18-6-4-3-5-7-18)17-29(19,26(37)16-34)28(21,2)13-25(36)30(22,27)32/h3-9,11,19,21-22,24-25,34,36H,10,12-17H2,1-2H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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0.660n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50456002
PNG
(CHEMBL4211166)
Show SMILES [H][C@]12CN(C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2)c1ccc(Cl)cc1 |r,c:27,t:23|
Show InChI InChI=1S/C29H32ClF2NO4/c1-26-8-7-19(35)10-22(26)23(31)11-21-20-9-16-13-33(18-5-3-17(30)4-6-18)15-28(16,25(37)14-34)27(20,2)12-24(36)29(21,26)32/h3-8,10,16,20-21,23-24,34,36H,9,11-15H2,1-2H3/t16-,20-,21-,23-,24-,26-,27-,28+,29-/m0/s1
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0.670n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455904
PNG
(CHEMBL4213765)
Show SMILES [H][C@]12CN(Cc3ccc4ccccc4n3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:40,t:36|
Show InChI InChI=1S/C33H36F2N2O4/c1-30-10-9-22(39)12-25(30)26(34)13-24-23-11-20-15-37(16-21-8-7-19-5-3-4-6-27(19)36-21)18-32(20,29(41)17-38)31(23,2)14-28(40)33(24,30)35/h3-10,12,20,23-24,26,28,38,40H,11,13-18H2,1-2H3/t20-,23-,24-,26-,28-,30-,31-,32+,33-/m0/s1
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0.710n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455989
PNG
(CHEMBL4215262)
Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)OC)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:35,t:31|
Show InChI InChI=1S/C30H35F2NO4/c1-27-10-9-20(34)12-23(27)24(31)13-22-21-11-19-16-33(15-18-7-5-4-6-8-18)17-29(19,26(36)37-3)28(21,2)14-25(35)30(22,27)32/h4-10,12,19,21-22,24-25,35H,11,13-17H2,1-3H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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0.710n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455912
PNG
(CHEMBL4204230)
Show SMILES [H][C@]12CN(Cc3cccc(Cl)c3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32|
Show InChI InChI=1S/C30H34ClF2NO4/c1-27-7-6-20(36)10-23(27)24(32)11-22-21-9-18-14-34(13-17-4-3-5-19(31)8-17)16-29(18,26(38)15-35)28(21,2)12-25(37)30(22,27)33/h3-8,10,18,21-22,24-25,35,37H,9,11-16H2,1-2H3/t18-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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0.760n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455907
PNG
(CHEMBL4217942)
Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)N(C)C)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32|
Show InChI InChI=1S/C31H38F2N2O3/c1-28-11-10-21(36)13-24(28)25(32)14-23-22-12-20-17-35(16-19-8-6-5-7-9-19)18-30(20,27(38)34(3)4)29(22,2)15-26(37)31(23,28)33/h5-11,13,20,22-23,25-26,37H,12,14-18H2,1-4H3/t20-,22-,23-,25-,26-,28-,29-,30+,31-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
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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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50456001
PNG
(CHEMBL4202463)
Show SMILES [H][C@]12CN(CCC(C)C)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:32,t:28|
Show InChI InChI=1S/C28H39F2NO4/c1-16(2)6-8-31-13-17-9-19-20-11-22(29)21-10-18(33)5-7-25(21,3)28(20,30)23(34)12-26(19,4)27(17,15-31)24(35)14-32/h5,7,10,16-17,19-20,22-23,32,34H,6,8-9,11-15H2,1-4H3/t17-,19-,20-,22-,23-,25-,26-,27+,28-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455910
PNG
(CHEMBL4214377)
Show SMILES [H][C@]12CN(CCC(C)C)C[C@@]1(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:33,t:29|
Show InChI InChI=1S/C28H38F3NO3S/c1-16(2)6-8-32-13-17-9-19-20-11-22(30)21-10-18(33)5-7-25(21,3)28(20,31)23(34)12-26(19,4)27(17,14-32)24(35)36-15-29/h5,7,10,16-17,19-20,22-23,34H,6,8-9,11-15H2,1-4H3/t17-,19-,20-,22-,23-,25-,26-,27+,28-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50456003
PNG
(CHEMBL4218553)
Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)NCc1ccccc1)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:42,t:38|
Show InChI InChI=1S/C36H40F2N2O3/c1-33-14-13-26(41)16-29(33)30(37)17-28-27-15-25-21-40(20-24-11-7-4-8-12-24)22-35(25,34(27,2)18-31(42)36(28,33)38)32(43)39-19-23-9-5-3-6-10-23/h3-14,16,25,27-28,30-31,42H,15,17-22H2,1-2H3,(H,39,43)/t25-,27-,28-,30-,31-,33-,34-,35+,36-/m0/s1
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9.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389023
PNG
(CHEMBL2064166 | US9353075, 6)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C16H21NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389021
PNG
(CHEMBL2064178)
Show SMILES C[C@@H]1OC(=O)[C@H]1NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H15NO4/c1-5-6(7(11)13-5)10-8(12)14-9(2,3)4/h5-6H,1-4H3,(H,10,12)/t5-,6-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389020
PNG
(CHEMBL2064177)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H15NO4/c1-5-6(7(11)13-5)10-8(12)14-9(2,3)4/h5-6H,1-4H3,(H,10,12)/t5-,6+/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389014
PNG
(CHEMBL2064171)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1COC1=O |r|
Show InChI InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389013
PNG
(CHEMBL2064170)
Show SMILES CC(C)(C)OC(=O)N[C@H]1COC1=O |r|
Show InChI InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389008
PNG
(CHEMBL2064167 | US9321743, URB785)
Show SMILES O=C(N[C@@H]1COC1=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389018
PNG
(CHEMBL2064175)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C12H13NO4/c1-8-10(11(14)17-8)13-12(15)16-7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,15)/t8-,10+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389007
PNG
(CHEMBL1214255 | US9321743, SD41)
Show SMILES O=C(N[C@H]1COC1=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1
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n/an/a 2.96E+3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389022
PNG
(CHEMBL2064179)
Show SMILES C[C@H]1OC(=O)[C@@H]1NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H15NO4/c1-5-6(7(11)13-5)10-8(12)14-9(2,3)4/h5-6H,1-4H3,(H,10,12)/t5-,6-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389017
PNG
(CHEMBL2064174)
Show SMILES C[C@H]1OC(=O)[C@H]1NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C12H13NO4/c1-8-10(11(14)17-8)13-12(15)16-7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,15)/t8-,10+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389015
PNG
(CHEMBL2064172 | US9321743, URB784)
Show SMILES O=C(NCc1ccccc1)N[C@H]1COC1=O |r|
Show InChI InChI=1S/C11H12N2O3/c14-10-9(7-16-10)13-11(15)12-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,13,15)/t9-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389016
PNG
(CHEMBL2064173 | US9321743, URB863)
Show SMILES O=C(NCc1ccccc1)N[C@@H]1COC1=O |r|
Show InChI InChI=1S/C11H12N2O3/c14-10-9(7-16-10)13-11(15)12-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,13,15)/t9-/m1/s1
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n/an/a 4.92E+4n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389019
PNG
(CHEMBL2064176)
Show SMILES C[C@H]1OC(=O)[C@H]1NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H15NO4/c1-5-6(7(11)13-5)10-8(12)14-9(2,3)4/h5-6H,1-4H3,(H,10,12)/t5-,6+/m1/s1
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Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389009
PNG
(CHEMBL1222399 | US9321743, Cbz-L-Ser)
Show SMILES OC[C@H](NC(=O)OCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)/t9-/m0/s1
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Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389010
PNG
(CHEMBL245258 | US9321743, Cbz-D-Ser)
Show SMILES OC[C@@H](NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)/t9-/m1/s1
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Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389011
PNG
(CHEMBL2064168 | US9321743, URB787)
Show SMILES O=C(NC1CCC1)OCc1ccccc1
Show InChI InChI=1S/C12H15NO2/c14-12(13-11-7-4-8-11)15-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14)
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Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389012
PNG
(CHEMBL2064169 | US9321743, URB786)
Show SMILES O=C(NC1CCC1=O)OCc1ccccc1
Show InChI InChI=1S/C12H13NO3/c14-11-7-6-10(11)13-12(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)
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Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis


J Med Chem 55: 4824-36 (2012)


Article DOI: 10.1021/jm300349j
BindingDB Entry DOI: 10.7270/Q20P113N
More data for this
Ligand-Target Pair
Mineralocorticoid 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 4.80n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged mineralocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminesce...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50455912
PNG
(CHEMBL4204230)
Show SMILES [H][C@]12CN(Cc3cccc(Cl)c3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32|
Show InChI InChI=1S/C30H34ClF2NO4/c1-27-7-6-20(36)10-23(27)24(32)11-22-21-9-18-14-34(13-17-4-3-5-19(31)8-17)16-29(18,26(38)15-35)28(21,2)12-25(37)30(22,27)33/h3-8,10,18,21-22,24-25,35,37H,9,11-16H2,1-2H3/t18-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged mineralocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminesce...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50455907
PNG
(CHEMBL4217942)
Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)N(C)C)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32|
Show InChI InChI=1S/C31H38F2N2O3/c1-28-11-10-21(36)13-24(28)25(32)14-23-22-12-20-17-35(16-19-8-6-5-7-9-19)18-30(20,27(38)34(3)4)29(22,2)15-26(37)31(23,28)33/h5-11,13,20,22-23,25-26,37H,12,14-18H2,1-4H3/t20-,22-,23-,25-,26-,28-,29-,30+,31-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged mineralocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminesce...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50455946
PNG
(CHEMBL4213791)
Show SMILES [H][C@]12CN(Cc3cccc(Cl)c3)C[C@@]1(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:37,t:33|
Show InChI InChI=1S/C30H33ClF3NO3S/c1-27-7-6-20(36)10-23(27)24(33)11-22-21-9-18-14-35(13-17-4-3-5-19(31)8-17)15-29(18,26(38)39-16-32)28(21,2)12-25(37)30(22,27)34/h3-8,10,18,21-22,24-25,37H,9,11-16H2,1-2H3/t18-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged mineralocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminesce...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50455910
PNG
(CHEMBL4214377)
Show SMILES [H][C@]12CN(CCC(C)C)C[C@@]1(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:33,t:29|
Show InChI InChI=1S/C28H38F3NO3S/c1-16(2)6-8-32-13-17-9-19-20-11-22(30)21-10-18(33)5-7-25(21,3)28(20,31)23(34)12-26(19,4)27(17,14-32)24(35)36-15-29/h5,7,10,16-17,19-20,22-23,34H,6,8-9,11-15H2,1-4H3/t17-,19-,20-,22-,23-,25-,26-,27+,28-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged mineralocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminesce...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455947
PNG
(CHEMBL4202533)
Show SMILES [H][C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)CF)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:35,t:31|
Show InChI InChI=1S/C30H34F3NO3/c1-27-9-8-20(35)11-23(27)24(32)12-22-21-10-19-16-34(15-18-6-4-3-5-7-18)17-29(19,26(37)14-31)28(21,2)13-25(36)30(22,27)33/h3-9,11,19,21-22,24-25,36H,10,12-17H2,1-2H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged glucocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminescence...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
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 3.5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged glucocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminescence...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455991
PNG
(CHEMBL4211798)
Show SMILES [H][C@]12CN(CC3CC3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:32,t:28|
Show InChI InChI=1S/C27H35F2NO4/c1-24-6-5-17(32)8-20(24)21(28)9-19-18-7-16-12-30(11-15-3-4-15)14-26(16,23(34)13-31)25(18,2)10-22(33)27(19,24)29/h5-6,8,15-16,18-19,21-22,31,33H,3-4,7,9-14H2,1-2H3/t16-,18-,19-,21-,22-,24-,25-,26+,27-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged glucocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminescence...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50456001
PNG
(CHEMBL4202463)
Show SMILES [H][C@]12CN(CCC(C)C)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:32,t:28|
Show InChI InChI=1S/C28H39F2NO4/c1-16(2)6-8-31-13-17-9-19-20-11-22(29)21-10-18(33)5-7-25(21,3)28(20,30)23(34)12-26(19,4)27(17,15-31)24(35)14-32/h5,7,10,16-17,19-20,22-23,32,34H,6,8-9,11-15H2,1-4H3/t17-,19-,20-,22-,23-,25-,26-,27+,28-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged glucocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminescence...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
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