Compile Data Set for Download or QSAR

Found 568 hits with Last Name = 'malmberg' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203422 (CHEMBL3937635) Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C1CC1 |r| Show InChI InChI=1S/C26H25FN4O3/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21/h5-17,25H,3-4H2,1-2H3,(H,30,32)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457410 (CHEMBL4213191) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C27H26F3N3O2/c1-17(2)24(32-26(34)27(3,29)30)25(18-7-5-4-6-8-18)35-22-13-14-23-19(15-22)16-31-33(23)21-11-9-20(28)10-12-21/h4-17,24-25H,1-3H3,(H,32,34)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.340	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457406 (CHEMBL4208262) Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H23F4N3O2/c1-16(2)23(32-25(34)26(28,29)30)24(17-6-4-3-5-7-17)35-21-12-13-22-18(14-21)15-31-33(22)20-10-8-19(27)9-11-20/h3-16,23-24H,1-2H3,(H,32,34)/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.420	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457403 (CHEMBL4208798) Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@@H](NC(=O)C(C)(F)F)C(C)C |r| Show InChI InChI=1S/C27H27F3N4O3/c1-16(2)24(33-26(35)27(3,29)30)25(17-5-12-23(36-4)31-14-17)37-21-10-11-22-18(13-21)15-32-34(22)20-8-6-19(28)7-9-20/h5-16,24-25H,1-4H3,(H,33,35)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM140009 (US8901310, Example 1 ) Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457428 (CHEMBL4213734) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc(cc1Br)C#N)c1cnc(nc1)C1CC1 |r| Show InChI InChI=1S/C20H19BrF2N4O2/c1-11(27-19(28)20(2,22)23)17(14-9-25-18(26-10-14)13-4-5-13)29-16-6-3-12(8-24)7-15(16)21/h3,6-7,9-11,13,17H,4-5H2,1-2H3,(H,27,28)/t11-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457421 (CHEMBL4214847) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(c1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H26F2N4O3/c1-17(31-26(35)27(2,28)29)25(18-6-4-3-5-7-18)36-22-11-12-23-19(14-22)15-30-33(23)21-10-13-24(34)32(16-21)20-8-9-20/h3-7,10-17,20,25H,8-9H2,1-2H3,(H,31,35)/t17-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457407 (CHEMBL4210441) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C25H24F2N4O3/c1-16(29-24(33)25(2,26)27)23(17-7-5-4-6-8-17)34-20-10-11-21-18(13-20)14-28-31(21)19-9-12-22(32)30(3)15-19/h4-16,23H,1-3H3,(H,29,33)/t16-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457404 (CHEMBL4217597) Show SMILES C[C@H](O)[C@H](NC(=O)c1nnc(C)o1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C27H22F3N5O4/c1-14(36)24(32-26(37)27-34-33-15(2)38-27)25(16-9-19(29)12-20(30)10-16)39-22-7-8-23-17(11-22)13-31-35(23)21-5-3-18(28)4-6-21/h3-14,24-25,36H,1-2H3,(H,32,37)/t14-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM332677 (US10196374, Example 5) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H27ClF2N4O3/c1-16(2)24(32-26(36)27(3,29)30)25(17-6-5-7-19(28)12-17)37-21-9-10-22-18(13-21)14-31-34(22)20-8-11-23(35)33(4)15-20/h5-16,24-25H,1-4H3,(H,32,36)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50369033 (CHEMBL4167096) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cc(cnc2OCC(F)(F)F)C#N)cc1 Show InChI InChI=1S/C22H18F3N3O4S2/c1-2-34(30,31)17-5-3-14(4-6-17)8-19(29)28-20-9-16(12-33-20)18-7-15(10-26)11-27-21(18)32-13-22(23,24)25/h3-7,9,11-12H,2,8,13H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat ...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50445876 (CHEMBL3105692) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C27H21Cl2NO4S2/c1-2-36(33,34)20-12-10-17(11-13-20)14-24(31)30-25-16-22(18-6-5-7-19(28)15-18)27(35-25)26(32)21-8-3-4-9-23(21)29/h3-13,15-16H,2,14H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat ...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457408 (CHEMBL4211936) Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)C(C)(F)F |r| Show InChI InChI=1S/C31H27F3N4O3/c1-31(33,34)30(39)37-26(16-20-6-4-3-5-7-20)29(21-8-15-28(40-2)35-18-21)41-25-13-14-27-22(17-25)19-36-38(27)24-11-9-23(32)10-12-24/h3-15,17-19,26,29H,16H2,1-2H3,(H,37,39)/t26-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM332669 (US10196374, Example 3) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C27H26F4N4O3/c1-15(2)24(33-26(37)27(3,30)31)25(16-9-18(28)12-19(29)10-16)38-21-6-7-22-17(11-21)13-32-35(22)20-5-8-23(36)34(4)14-20/h5-15,24-25H,1-4H3,(H,33,37)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457428 (CHEMBL4213734) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc(cc1Br)C#N)c1cnc(nc1)C1CC1 |r| Show InChI InChI=1S/C20H19BrF2N4O2/c1-11(27-19(28)20(2,22)23)17(14-9-25-18(26-10-14)13-4-5-13)29-16-6-3-12(8-24)7-15(16)21/h3,6-7,9-11,13,17H,4-5H2,1-2H3,(H,27,28)/t11-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457419 (CHEMBL4204466) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc(cc1Br)C#N)c1cnc(nc1)C1CC1 |r| Show InChI InChI=1S/C19H16BrF3N4O2/c1-10(27-18(28)19(21,22)23)16(13-8-25-17(26-9-13)12-3-4-12)29-15-5-2-11(7-24)6-14(15)20/h2,5-6,8-10,12,16H,3-4H2,1H3,(H,27,28)/t10-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457419 (CHEMBL4204466) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc(cc1Br)C#N)c1cnc(nc1)C1CC1 |r| Show InChI InChI=1S/C19H16BrF3N4O2/c1-10(27-18(28)19(21,22)23)16(13-8-25-17(26-9-13)12-3-4-12)29-15-5-2-11(7-24)6-14(15)20/h2,5-6,8-10,12,16H,3-4H2,1H3,(H,27,28)/t10-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457414 (CHEMBL4215390) Show SMILES CCn1cc(ccc1=O)-n1ncc2cc(O[C@@H]([C@H](C)NC(=O)C(C)(F)F)c3ccccc3)ccc12 |r| Show InChI InChI=1S/C26H26F2N4O3/c1-4-31-16-20(10-13-23(31)33)32-22-12-11-21(14-19(22)15-29-32)35-24(18-8-6-5-7-9-18)17(2)30-25(34)26(3,27)28/h5-17,24H,4H2,1-3H3,(H,30,34)/t17-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM332677 (US10196374, Example 5) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H27ClF2N4O3/c1-16(2)24(32-26(36)27(3,29)30)25(17-6-5-7-19(28)12-17)37-21-9-10-22-18(13-21)14-31-34(22)20-8-11-23(35)33(4)15-20/h5-16,24-25H,1-4H3,(H,32,36)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM493606 (US10988445, Example 202) Show SMILES OC(c1ccc(NC(=O)C2N(Cc3cc(ccc23)S(=O)(=O)CC2CC2)C=O)cc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F6N2O5S/c24-22(25,26)21(34,23(27,28)29)15-3-5-16(6-4-15)30-20(33)19-18-8-7-17(9-14(18)10-31(19)12-32)37(35,36)11-13-1-2-13/h3-9,12-13,19,34H,1-2,10-11H2,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01197 BindingDB Entry DOI: 10.7270/Q22Z19BG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM332678 (US10196374, Example 6) Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H24ClF3N4O3/c1-15(2)23(32-25(36)26(28,29)30)24(16-5-4-6-18(27)11-16)37-20-8-9-21-17(12-20)13-31-34(21)19-7-10-22(35)33(3)14-19/h4-15,23-24H,1-3H3,(H,32,36)/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM332678 (US10196374, Example 6) Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C26H24ClF3N4O3/c1-15(2)23(32-25(36)26(28,29)30)24(16-5-4-6-18(27)11-16)37-20-8-9-21-17(12-20)13-31-34(21)19-7-10-22(35)33(3)14-19/h4-15,23-24H,1-3H3,(H,32,36)/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50368995 (CHEMBL4159819) Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(C)=O)C(=O)Nc1cc(cs1)-c1cccnc1OCc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C29H26F3N3O6S2/c1-3-43(38,39)23-12-8-20(9-13-23)26(34-18(2)36)27(37)35-25-15-21(17-42-25)24-5-4-14-33-28(24)40-16-19-6-10-22(11-7-19)41-29(30,31)32/h4-15,17,26H,3,16H2,1-2H3,(H,34,36)(H,35,37)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat ...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457412 (CHEMBL4209216) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cc(F)c(=O)n(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C27H27F3N4O3/c1-16(2)23(32-26(36)27(3,29)30)24(17-8-6-5-7-9-17)37-20-10-11-22-18(12-20)14-31-34(22)19-13-21(28)25(35)33(4)15-19/h5-16,23-24H,1-4H3,(H,32,36)/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50502387 (CHEMBL4458320) Show SMILES CCS(=O)(=O)c1ccc(cc1)C(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H24F6N2O5S/c1-2-41(39,40)21-14-8-18(9-15-21)23(35-22(36)16-17-6-4-3-5-7-17)24(37)34-20-12-10-19(11-13-20)25(38,26(28,29)30)27(31,32)33/h3-15,23,38H,2,16H2,1H3,(H,34,37)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL-17A secretion incubated for 4 days by HTRF assay				ACS Med Chem Lett 10: 972-977 (2019) Article DOI: 10.1021/acsmedchemlett.9b00158 BindingDB Entry DOI: 10.7270/Q2736V64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457402 (CHEMBL4212650) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cscn1)c1ccccc1 |r| Show InChI InChI=1S/C24H24F2N4O2S/c1-15(2)21(29-23(31)24(3,25)26)22(16-7-5-4-6-8-16)32-18-9-10-19-17(11-18)12-28-30(19)20-13-33-14-27-20/h4-15,21-22H,1-3H3,(H,29,31)/t21-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM332659 (US10196374, Example 1) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457421 (CHEMBL4214847) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(c1)C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H26F2N4O3/c1-17(31-26(35)27(2,28)29)25(18-6-4-3-5-7-18)36-22-11-12-23-19(14-22)15-30-33(23)21-10-13-24(34)32(16-21)20-8-9-20/h3-7,10-17,20,25H,8-9H2,1-2H3,(H,31,35)/t17-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457417 (CHEMBL4214015) Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc(C#N)c(Cl)c1)[C@H](C)NC(=O)C(C)(F)F |r| Show InChI InChI=1S/C19H18ClF2N3O3/c1-11(25-18(26)19(2,21)22)17(13-5-7-16(27-3)24-10-13)28-14-6-4-12(9-23)15(20)8-14/h4-8,10-11,17H,1-3H3,(H,25,26)/t11-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457418 (CHEMBL4208799) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc(cc1Cl)C#N)c1cnc(nc1)C1CC1 |r| Show InChI InChI=1S/C20H19ClF2N4O2/c1-11(27-19(28)20(2,22)23)17(14-9-25-18(26-10-14)13-4-5-13)29-16-6-3-12(8-24)7-15(16)21/h3,6-7,9-11,13,17H,4-5H2,1-2H3,(H,27,28)/t11-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<4.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457415 (CHEMBL4202668) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(CC2CC2)c1)c1ccccc1 |r| Show InChI InChI=1S/C28H28F2N4O3/c1-18(32-27(36)28(2,29)30)26(20-6-4-3-5-7-20)37-23-11-12-24-21(14-23)15-31-34(24)22-10-13-25(35)33(17-22)16-19-8-9-19/h3-7,10-15,17-19,26H,8-9,16H2,1-2H3,(H,32,36)/t18-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM332669 (US10196374, Example 3) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C27H26F4N4O3/c1-15(2)24(33-26(37)27(3,30)31)25(16-9-18(28)12-19(29)10-16)38-21-6-7-22-17(11-21)13-32-35(22)20-5-8-23(36)34(4)14-20/h5-15,24-25H,1-4H3,(H,33,37)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457414 (CHEMBL4215390) Show SMILES CCn1cc(ccc1=O)-n1ncc2cc(O[C@@H]([C@H](C)NC(=O)C(C)(F)F)c3ccccc3)ccc12 |r| Show InChI InChI=1S/C26H26F2N4O3/c1-4-31-16-20(10-13-23(31)33)32-22-12-11-21(14-19(22)15-29-32)35-24(18-8-6-5-7-9-18)17(2)30-25(34)26(3,27)28/h5-17,24H,4H2,1-3H3,(H,30,34)/t17-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457425 (CHEMBL4203199) Show SMILES CCCn1cc(ccc1=O)-n1ncc2cc(O[C@@H]([C@H](C)NC(=O)C(C)(F)F)c3ccccc3)ccc12 |r| Show InChI InChI=1S/C27H28F2N4O3/c1-4-14-32-17-21(10-13-24(32)34)33-23-12-11-22(15-20(23)16-30-33)36-25(19-8-6-5-7-9-19)18(2)31-26(35)27(3,28)29/h5-13,15-18,25H,4,14H2,1-3H3,(H,31,35)/t18-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457412 (CHEMBL4209216) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cc(F)c(=O)n(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C27H27F3N4O3/c1-16(2)23(32-26(36)27(3,29)30)24(17-8-6-5-7-9-17)37-20-10-11-22-18(12-20)14-31-34(22)19-13-21(28)25(35)33(4)15-19/h5-16,23-24H,1-4H3,(H,32,36)/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50445876 (CHEMBL3105692) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C27H21Cl2NO4S2/c1-2-36(33,34)20-12-10-17(11-13-20)14-24(31)30-25-16-22(18-6-5-7-19(28)15-18)27(35-25)26(32)21-8-3-4-9-23(21)29/h3-13,15-16H,2,14H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human TH17 cells assessed as inhibition of IL17 release incubated for 4 days by HTRF assay				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50369079 (CHEMBL4176887) Show SMILES CCS(=O)(=O)c1ccc(cc1)C(NC(C)=O)C(=O)Nc1cc(cs1)-c1cccnc1OCc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C29H26F3N3O6S2/c1-3-43(38,39)23-12-8-20(9-13-23)26(34-18(2)36)27(37)35-25-15-21(17-42-25)24-5-4-14-33-28(24)40-16-19-6-10-22(11-7-19)41-29(30,31)32/h4-15,17,26H,3,16H2,1-2H3,(H,34,36)(H,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat ...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457405 (CHEMBL4217070) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccn(C)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C27H28F2N4O3/c1-17(2)23(31-26(35)27(3,28)29)24(18-9-6-5-7-10-18)36-20-12-13-21-19(15-20)16-30-33(21)22-11-8-14-32(4)25(22)34/h5-17,23-24H,1-4H3,(H,31,35)/t23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203422 (CHEMBL3937635) Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C1CC1 |r| Show InChI InChI=1S/C26H25FN4O3/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21/h5-17,25H,3-4H2,1-2H3,(H,30,32)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457422 (CHEMBL4203771) Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc(cc1)C#N)[C@H](C)NC(=O)C(C)(F)F |r| Show InChI InChI=1S/C19H19F2N3O3/c1-12(24-18(25)19(2,20)21)17(14-6-9-16(26-3)23-11-14)27-15-7-4-13(10-22)5-8-15/h4-9,11-12,17H,1-3H3,(H,24,25)/t12-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<6.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50368993 (CHEMBL4163193) Show SMILES CCS(=O)(=O)c1ccc(cc1)C(NC(C)=O)C(=O)Nc1cc(cs1)-c1cc(cnc1OCC(F)(F)F)C#N Show InChI InChI=1S/C24H21F3N4O5S2/c1-3-38(34,35)18-6-4-16(5-7-18)21(30-14(2)32)22(33)31-20-9-17(12-37-20)19-8-15(10-28)11-29-23(19)36-13-24(25,26)27/h4-9,11-12,21H,3,13H2,1-2H3,(H,30,32)(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat ...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50369036 (CHEMBL4173908) Show SMILES CCS(=O)(=O)c1ccc(cc1)C(NC(C)=O)C(=O)Nc1cc(cs1)-c1cccnc1OCc1ccccc1 Show InChI InChI=1S/C28H27N3O5S2/c1-3-38(34,35)23-13-11-21(12-14-23)26(30-19(2)32)27(33)31-25-16-22(18-37-25)24-10-7-15-29-28(24)36-17-20-8-5-4-6-9-20/h4-16,18,26H,3,17H2,1-2H3,(H,30,32)(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat ...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50368990 (CHEMBL4163215) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cccnc2OCc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C27H23F3N2O5S2/c1-2-39(34,35)22-11-7-18(8-12-22)14-24(33)32-25-15-20(17-38-25)23-4-3-13-31-26(23)36-16-19-5-9-21(10-6-19)37-27(28,29)30/h3-13,15,17H,2,14,16H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat ...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM332659 (US10196374, Example 1) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19190 ((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...) Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457430 (CHEMBL4209089) Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc(cc1Cl)C#N)[C@H](C)NC(=O)C(C)(F)F |r| Show InChI InChI=1S/C19H18ClF2N3O3/c1-11(25-18(26)19(2,21)22)17(13-5-7-16(27-3)24-10-13)28-15-6-4-12(9-23)8-14(15)20/h4-8,10-11,17H,1-3H3,(H,25,26)/t11-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457409 (CHEMBL4203918) Show SMILES COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@@H](NC(=O)C(C)(F)F)OC(C)(C)C |r| Show InChI InChI=1S/C28H29F3N4O4/c1-27(2,3)39-25(34-26(36)28(4,30)31)24(17-6-13-23(37-5)32-15-17)38-21-11-12-22-18(14-21)16-33-35(22)20-9-7-19(29)8-10-20/h6-16,24-25H,1-5H3,(H,34,36)/t24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457413 (CHEMBL4214133) Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cc(C#N)c(=O)n(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C28H27F2N5O3/c1-17(2)24(33-27(37)28(3,29)30)25(18-8-6-5-7-9-18)38-22-10-11-23-20(13-22)15-32-35(23)21-12-19(14-31)26(36)34(4)16-21/h5-13,15-17,24-25H,1-4H3,(H,33,37)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM140009 (US8901310, Example 1 ) Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<7.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457418 (CHEMBL4208799) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc(cc1Cl)C#N)c1cnc(nc1)C1CC1 |r| Show InChI InChI=1S/C20H19ClF2N4O2/c1-11(27-19(28)20(2,22)23)17(14-9-25-18(26-10-14)13-4-5-13)29-16-6-3-12(8-24)7-15(16)21/h3,6-7,9-11,13,17H,4-5H2,1-2H3,(H,27,28)/t11-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair

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