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Compile Data Set for Download or QSAR

Found 113 hits Enz. Inhib. hit(s) with all data for entry = 50001790   
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
Progesterone receptor


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in CHO-K1 cells assessed as reduction in progesterone-induced response incubated for 20 hrs by luciferase r...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368944
PNG
(CHEMBL4172624)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C(C)C |r,c:14,20|
Show InChI InChI=1S/C30H36O2/c1-5-15-30(32)16-14-27-25-12-10-22-17-23(31)11-13-24(22)28(25)26(18-29(27,30)4)21-8-6-20(7-9-21)19(2)3/h6-9,17,19,25-27,32H,10-14,16,18H2,1-4H3/t25-,26+,27-,29-,30-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368971
PNG
(CHEMBL4159987)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:35|
Show InChI InChI=1S/C32H43NO2/c1-30(2,3)17-18-32(35)16-15-28-26-13-9-22-19-24(34)12-14-25(22)29(26)27(20-31(28,32)4)21-7-10-23(11-8-21)33(5)6/h7-8,10-11,19,25-29,35H,9,12-16,20H2,1-6H3/t25-,26-,27+,28-,29+,31-,32+/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368960
PNG
(CHEMBL4159692)
Show SMILES [H][C@@]12CC[C@@](O)(C#CCC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:15,21|
Show InChI InChI=1S/C30H37NO2/c1-5-6-16-30(33)17-15-27-25-13-9-21-18-23(32)12-14-24(21)28(25)26(19-29(27,30)2)20-7-10-22(11-8-20)31(3)4/h7-8,10-11,18,25-27,33H,5,9,12-15,17,19H2,1-4H3/t25-,26+,27-,29-,30-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368924
PNG
(CHEMBL4167905 | US11124537, TABLE 3.47.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C1(C)COC1 |r,c:17,23|
Show InChI InChI=1S/C34H42O3/c1-31(2,3)16-17-34(36)15-14-29-27-12-8-23-18-25(35)11-13-26(23)30(27)28(19-33(29,34)5)22-6-9-24(10-7-22)32(4)20-37-21-32/h6-7,9-10,18,27-29,36H,8,11-15,19-21H2,1-5H3/t27-,28+,29-,33-,34+/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368949
PNG
(CHEMBL4164157)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(F)(F)F)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:17,23|
Show InChI InChI=1S/C29H32F3NO2/c1-27-17-24(18-4-7-20(8-5-18)33(2)3)26-22-11-9-21(34)16-19(22)6-10-23(26)25(27)12-13-28(27,35)14-15-29(30,31)32/h4-5,7-8,16,23-25,35H,6,9-13,17H2,1-3H3/t23-,24+,25-,27-,28+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Sus scrofa)		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in mini pig PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 24 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368966
PNG
(CHEMBL4164900 | US11124537, TABLE 3.20.2)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1c(F)cc(cc1F)N(C)C |r,c:17,23|
Show InChI InChI=1S/C32H39F2NO2/c1-30(2,3)13-14-32(37)12-11-25-23-9-7-19-15-21(36)8-10-22(19)28(23)24(18-31(25,32)4)29-26(33)16-20(35(5)6)17-27(29)34/h15-17,23-25,37H,7-12,18H2,1-6H3/t23-,24-,25-,31-,32+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human OVCAR5 assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368957
PNG
(CHEMBL4171957)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N1CCOCC1 |r,c:17,23|
Show InChI InChI=1S/C34H43NO3/c1-32(2,3)15-16-34(37)14-13-30-28-11-7-24-21-26(36)10-12-27(24)31(28)29(22-33(30,34)4)23-5-8-25(9-6-23)35-17-19-38-20-18-35/h5-6,8-9,21,28-30,37H,7,10-14,17-20,22H2,1-4H3/t28-,29+,30-,33-,34+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368936
PNG
(CHEMBL4159430)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccccc1 |r,c:14,20|
Show InChI InChI=1S/C27H30O2/c1-3-14-27(29)15-13-24-22-11-9-19-16-20(28)10-12-21(19)25(22)23(17-26(24,27)2)18-7-5-4-6-8-18/h4-8,16,22-24,29H,9-13,15,17H2,1-2H3/t22-,23+,24-,26-,27-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368945
PNG
(CHEMBL4169685)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)OC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:36|
Show InChI InChI=1S/C32H43NO3/c1-30(2,36-6)17-18-32(35)16-15-28-26-13-9-22-19-24(34)12-14-25(22)29(26)27(20-31(28,32)3)21-7-10-23(11-8-21)33(4)5/h7-8,10-11,19,25-29,35H,9,12-16,20H2,1-6H3/t25-,26-,27+,28-,29+,31-,32+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 6 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368977
PNG
(CHEMBL4163069 | US11124537, TABLE 3.31.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:17,23|
Show InChI InChI=1S/C32H41NO2/c1-30(2,3)17-18-32(35)16-15-28-26-13-9-22-19-24(34)12-14-25(22)29(26)27(20-31(28,32)4)21-7-10-23(11-8-21)33(5)6/h7-8,10-11,19,26-28,35H,9,12-16,20H2,1-6H3/t26-,27+,28-,31-,32+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368925
PNG
(CHEMBL4174418)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C(C)C |r,c:17,23|
Show InChI InChI=1S/C33H42O2/c1-21(2)22-7-9-23(10-8-22)28-20-32(6)29(15-16-33(32,35)18-17-31(3,4)5)27-13-11-24-19-25(34)12-14-26(24)30(27)28/h7-10,19,21,27-29,35H,11-16,20H2,1-6H3/t27-,28+,29-,32-,33+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368948
PNG
(CHEMBL4170986 | US11124537, TABLE 3.5.2)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(C)cc1 |r,c:17,23|
Show InChI InChI=1S/C31H38O2/c1-20-6-8-21(9-7-20)26-19-30(5)27(14-15-31(30,33)17-16-29(2,3)4)25-12-10-22-18-23(32)11-13-24(22)28(25)26/h6-9,18,25-27,33H,10-15,19H2,1-5H3/t25-,26+,27-,30-,31+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368932
PNG
(CHEMBL4173222 | US11124537, TABLE 3.38.2)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N1CCS(=O)(=O)CC1 |r,c:17,23|
Show InChI InChI=1S/C34H43NO4S/c1-32(2,3)15-16-34(37)14-13-30-28-11-7-24-21-26(36)10-12-27(24)31(28)29(22-33(30,34)4)23-5-8-25(9-6-23)35-17-19-40(38,39)20-18-35/h5-6,8-9,21,28-30,37H,7,10-14,17-20,22H2,1-4H3/t28-,29+,30-,33-,34+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human OVCAR5 assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 24 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368974
PNG
(CHEMBL4161175 | US11124537, TABLE 3.6.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(OC)cc1 |r,c:17,23|
Show InChI InChI=1S/C31H38O3/c1-29(2,3)16-17-31(33)15-14-27-25-12-8-21-18-22(32)9-13-24(21)28(25)26(19-30(27,31)4)20-6-10-23(34-5)11-7-20/h6-7,10-11,18,25-27,33H,8-9,12-15,19H2,1-5H3/t25-,26+,27-,30-,31+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368935
PNG
(CHEMBL4166499 | US11124537, TABLE 3.4.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(CC)cc1 |r,c:17,23|
Show InChI InChI=1S/C32H40O2/c1-6-21-7-9-22(10-8-21)27-20-31(5)28(15-16-32(31,34)18-17-30(2,3)4)26-13-11-23-19-24(33)12-14-25(23)29(26)27/h7-10,19,26-28,34H,6,11-16,20H2,1-5H3/t26-,27+,28-,31-,32+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 6 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368934
PNG
(CHEMBL4167332)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1CCCCC1)C1=C3CCC(=O)C=C3CC[C@@]21[H] |r,c:21,27|
Show InChI InChI=1S/C27H36O2/c1-3-14-27(29)15-13-24-22-11-9-19-16-20(28)10-12-21(19)25(22)23(17-26(24,27)2)18-7-5-4-6-8-18/h16,18,22-24,29H,4-13,15,17H2,1-2H3/t22-,23+,24-,26-,27-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368938
PNG
(CHEMBL4162539 | US11124537, TABLE 3.7.2)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N1CCCC1 |r,c:17,23|
Show InChI InChI=1S/C34H43NO2/c1-32(2,3)17-18-34(37)16-15-30-28-13-9-24-21-26(36)12-14-27(24)31(28)29(22-33(30,34)4)23-7-10-25(11-8-23)35-19-5-6-20-35/h7-8,10-11,21,28-30,37H,5-6,9,12-16,19-20,22H2,1-4H3/t28-,29+,30-,33-,34+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Canis lupus familiaris)		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in dog PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 6 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 6 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Sus scrofa)		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in mini pig PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR metho...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human OVCAR5 assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human PR expressed in CHO-K1 cells assessed as reduction in progesterone-induced response incubated for 20 hrs by luciferase r...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Canis lupus familiaris)		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in dog PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 6 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in human PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 6 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368978
PNG
(CHEMBL4167608)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:16,22|
Show InChI InChI=1S/C31H39NO2/c1-20(2)14-16-31(34)17-15-28-26-12-8-22-18-24(33)11-13-25(22)29(26)27(19-30(28,31)3)21-6-9-23(10-7-21)32(4)5/h6-7,9-10,18,20,26-28,34H,8,11-13,15,17,19H2,1-5H3/t26-,27+,28-,30-,31-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368973
PNG
(CHEMBL4161483 | US11124537, TABLE 3.11.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(C)c1 |r,c:17,23|
Show InChI InChI=1S/C33H43NO2/c1-21-18-22(9-13-29(21)34(6)7)27-20-32(5)28(14-15-33(32,36)17-16-31(2,3)4)26-11-8-23-19-24(35)10-12-25(23)30(26)27/h9,13,18-19,26-28,36H,8,10-12,14-15,20H2,1-7H3/t26-,27+,28-,32-,33+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368963
PNG
(CHEMBL4174812)
Show SMILES [H][C@@]12CC[C@@](O)(CCCC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:15,21|
Show InChI InChI=1S/C30H41NO2/c1-5-6-16-30(33)17-15-27-25-13-9-21-18-23(32)12-14-24(21)28(25)26(19-29(27,30)2)20-7-10-22(11-8-20)31(3)4/h7-8,10-11,18,25-27,33H,5-6,9,12-17,19H2,1-4H3/t25-,26+,27-,29-,30-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Canis lupus familiaris)		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in dog PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 6 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Canis lupus familiaris)		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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n/an/a 34n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in dog PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 6 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Sus scrofa)		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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n/an/a 39n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in mini pig PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR metho...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368946
PNG
(CHEMBL4172798 | US11124537, TABLE 3.27.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1cc(F)c(N(C)C)c(F)c1 |r,c:17,23|
Show InChI InChI=1S/C32H39F2NO2/c1-30(2,3)13-14-32(37)12-11-25-23-9-7-19-15-21(36)8-10-22(19)28(23)24(18-31(25,32)4)20-16-26(33)29(35(5)6)27(34)17-20/h15-17,23-25,37H,7-12,18H2,1-6H3/t23-,24+,25-,31-,32+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368972
PNG
(CHEMBL4165975 | US11124537, TABLE 3.4.2)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C(C)C |r,c:17,23|
Show InChI InChI=1S/C34H45NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,28-30,37H,10,13-17,21H2,1-7H3/t28-,29+,30-,33-,34+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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n/an/a 46n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in rat PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368942
PNG
(CHEMBL4169408 | US11124537, TABLE 3.15.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(OC)c1 |r,c:17,23|
Show InChI InChI=1S/C33H43NO3/c1-31(2,3)16-17-33(36)15-14-27-25-11-8-21-18-23(35)10-12-24(21)30(25)26(20-32(27,33)4)22-9-13-28(34(5)6)29(19-22)37-7/h9,13,18-19,25-27,36H,8,10-12,14-15,20H2,1-7H3/t25-,26+,27-,32-,33+/m0/s1
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n/an/a 48n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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n/an/a 59n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in rat PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 24 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368926
PNG
(CHEMBL4161968)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1cccc(c1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-14-29(32)15-13-26-24-11-9-20-17-22(31)10-12-23(20)27(24)25(18-28(26,29)2)19-7-6-8-21(16-19)30(3)4/h6-8,16-17,24-26,32H,9-13,15,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Sus scrofa)		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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n/an/a 181n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at GR in mini pig PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 24 hrs by RT-qPCR method

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50368965
PNG
(CHEMBL4169100)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1cccc(c1)N(C)C |r,c:17,23|
Show InChI InChI=1S/C32H41NO2/c1-30(2,3)16-17-32(35)15-14-28-26-12-10-22-19-24(34)11-13-25(22)29(26)27(20-31(28,32)4)21-8-7-9-23(18-21)33(5)6/h7-9,18-19,26-28,35H,10-15,20H2,1-6H3/t26-,27+,28-,31-,32+/m0/s1
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n/an/a 205n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
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n/an/a 484n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at AR (unknown origin) expressed in human LNCaP cells assessed as reduction in R1881-induced response incubated for 20 hrs by luc...

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin) using midazolam as substrate

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50368933
PNG
(CHEMBL4161754)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
PDB
MMDB

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n/an/a 1.60E+3n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50368977
PNG
(CHEMBL4163069 | US11124537, TABLE 3.31.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:17,23|
Show InChI InChI=1S/C32H41NO2/c1-30(2,3)17-18-32(35)16-15-28-26-13-9-22-19-24(34)12-14-25(22)29(26)27(20-31(28,32)4)21-7-10-23(11-8-21)33(5)6/h7-8,10-11,19,26-28,35H,9,12-16,20H2,1-6H3/t26-,27+,28-,31-,32+/m0/s1
PDB
MMDB

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n/an/a 2.90E+3n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate

J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
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