Compile Data Set for Download or QSAR

Found 1447 hits with Last Name = 'eriksson' and Initial = 'a'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50005118 ((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus AB Curated by PDSP Ki Database									Mol Pharmacol 43: 749-54 (1993) BindingDB Entry DOI: 10.7270/Q2K072SP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50005118 ((S)-3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC Show InChI InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astra Arcus AB Curated by PDSP Ki Database									Mol Pharmacol 43: 749-54 (1993) BindingDB Entry DOI: 10.7270/Q2K072SP
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50274638 (CHEMBL4126156 | US10858355, Example 4) Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r| Show InChI InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to human P2Y1 receptor				J Med Chem 61: 5435-5441 (2018) Article DOI: 10.1021/acs.jmedchem.8b00447 BindingDB Entry DOI: 10.7270/Q27M0BFZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250114 (CHEMBL4104286) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-23-24(14-17)36-12-11-35-23)37-21-8-9-22-18(13-21)15-31-33(22)20-6-4-19(28)5-7-20/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250125 (CHEMBL4061359) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C26H21F4N3O4/c1-15(32-25(34)26(28,29)30)24(16-2-9-22-23(13-16)36-11-10-35-22)37-20-7-8-21-17(12-20)14-31-33(21)19-5-3-18(27)4-6-19/h2-9,12-15,24H,10-11H2,1H3,(H,32,34)/t15-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203432 (CHEMBL3911831) Show SMILES CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F |r| Show InChI InChI=1S/C25H21F4N3O2S/c1-15(31-24(33)25(27,28)29)23(16-3-10-21(35-2)11-4-16)34-20-9-12-22-17(13-20)14-30-32(22)19-7-5-18(26)6-8-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250115 (CHEMBL4086388) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2CCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O3/c1-16(32-26(34)27(2,29)30)25(18-4-3-17-11-12-35-24(17)14-18)36-22-9-10-23-19(13-22)15-31-33(23)21-7-5-20(28)6-8-21/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141378 (US8916600, 12 | US9738632, Example 12) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203441 (CHEMBL3973775) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C27H20F4N4O2/c1-16(34-26(36)27(29,30)31)25(19-12-17-4-2-3-5-23(17)32-14-19)37-22-10-11-24-18(13-22)15-33-35(24)21-8-6-20(28)7-9-21/h2-16,25H,1H3,(H,34,36)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203418 (CHEMBL3902818) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C28H21F4N3O2/c1-17(34-27(36)28(30,31)32)26(20-7-6-18-4-2-3-5-19(18)14-20)37-24-12-13-25-21(15-24)16-33-35(25)23-10-8-22(29)9-11-23/h2-17,26H,1H3,(H,34,36)/t17-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50512885 (CHEMBL4441003) Show SMILES C[C@H](Nc1ncnc2[nH]cc(-c3cccc(NS(C)(=O)=O)c3)c12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H27N7O3S/c1-18-9-7-14-24-25(18)30(38)37(22-12-5-4-6-13-22)29(35-24)19(2)34-28-26-23(16-31-27(26)32-17-33-28)20-10-8-11-21(15-20)36-41(3,39)40/h4-17,19,36H,1-3H3,(H2,31,32,33,34)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) preincubated for 30 mins followed by insulin stimulation for 5 mins by Western blot analysis				J Med Chem 62: 4783-4814 (2019) Article DOI: 10.1021/acs.jmedchem.8b01298 BindingDB Entry DOI: 10.7270/Q25D8W6S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50354849 (CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...) Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14| Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50354849 (CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...) Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14| Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0440	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250112 (CHEMBL4072756) Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F |r| Show InChI InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203413 (CHEMBL3920760) Show SMILES CCc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(C)(C)C |r| Show InChI InChI=1S/C29H32FN3O2/c1-6-20-7-9-21(10-8-20)27(19(2)32-28(34)29(3,4)5)35-25-15-16-26-22(17-25)18-31-33(26)24-13-11-23(30)12-14-24/h7-19,27H,6H2,1-5H3,(H,32,34)/t19-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141371 (US8916600, 5 | US9738632, Example 5) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCOC1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141372 (US8916600, 6 | US9738632, Example 6) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250126 (CHEMBL4094154) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-4-18-14-35-15-36-24(18)12-17)37-22-9-10-23-19(11-22)13-31-33(23)21-7-5-20(28)6-8-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0660	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250125 (CHEMBL4061359) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C26H21F4N3O4/c1-15(32-25(34)26(28,29)30)24(16-2-9-22-23(13-16)36-11-10-35-22)37-20-7-8-21-17(12-20)14-31-33(21)19-5-3-18(27)4-6-19/h2-9,12-15,24H,10-11H2,1H3,(H,32,34)/t15-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0730	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250114 (CHEMBL4104286) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-23-24(14-17)36-12-11-35-23)37-21-8-9-22-18(13-21)15-31-33(22)20-6-4-19(28)5-7-20/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203430 (CHEMBL3901719) Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(C)(C)C |r| Show InChI InChI=1S/C28H30FN3O3/c1-18(31-27(33)28(2,3)4)26(19-7-6-8-23(15-19)34-5)35-24-13-14-25-20(16-24)17-30-32(25)22-11-9-21(29)10-12-22/h6-18,26H,1-5H3,(H,31,33)/t18-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203435 (CHEMBL3940724) Show SMILES C[C@H](NC(=O)c1noc(C)n1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H22FN5O3/c1-16(29-26(33)25-30-17(2)35-31-25)24(18-6-4-3-5-7-18)34-22-12-13-23-19(14-22)15-28-32(23)21-10-8-20(27)9-11-21/h3-16,24H,1-2H3,(H,29,33)/t16-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203423 (CHEMBL3960682) Show SMILES C[C@H](NC(=O)c1nnc(C)o1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H22FN5O3/c1-16(29-25(33)26-31-30-17(2)34-26)24(18-6-4-3-5-7-18)35-22-12-13-23-19(14-22)15-28-32(23)21-10-8-20(27)9-11-21/h3-16,24H,1-2H3,(H,29,33)/t16-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM141379 (US8916600, 13 | US9738632, Example 13) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50512880 (CHEMBL4468379) Show SMILES C[C@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14| Show InChI InChI=1S/C20H16ClN7O2S/c1-12(26-19-16-18(23-10-22-16)24-11-25-19)20-27-15-9-5-8-14(21)17(15)31(29,30)28(20)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25,26)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human SUDHL6 cells				J Med Chem 62: 4783-4814 (2019) Article DOI: 10.1021/acs.jmedchem.8b01298 BindingDB Entry DOI: 10.7270/Q25D8W6S
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50512862 (CHEMBL4541570) Show SMILES CC(Nc1ncnc2[nH]cnc12)c1cc2ccccn2c(=O)c1-c1ccccc1 Show InChI InChI=1S/C22H18N6O/c1-14(27-21-19-20(24-12-23-19)25-13-26-21)17-11-16-9-5-6-10-28(16)22(29)18(17)15-7-3-2-4-8-15/h2-14H,1H3,(H2,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin)				J Med Chem 62: 4783-4814 (2019) Article DOI: 10.1021/acs.jmedchem.8b01298 BindingDB Entry DOI: 10.7270/Q25D8W6S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250115 (CHEMBL4086388) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2CCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O3/c1-16(32-26(34)27(2,29)30)25(18-4-3-17-11-12-35-24(17)14-18)36-22-9-10-23-19(13-22)15-31-33(23)21-7-5-20(28)6-8-21/h3-10,13-16,25H,11-12H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.101	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250118 (CHEMBL4070346) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-11-27-28(17-20)45-14-13-44-27)46-24-9-10-25-22(16-24)18-37-40(25)23-6-3-5-21(15-23)31(42)39-12-4-7-26(39)30(36)41/h3,5-6,8-11,15-19,26,29H,4,7,12-14H2,1-2H3,(H2,36,41)(H,38,43)/t19-,26+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203419 (CHEMBL3915997) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203419 (CHEMBL3915997) Show SMILES C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250126 (CHEMBL4094154) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-4-18-14-35-15-36-24(18)12-17)37-22-9-10-23-19(11-22)13-31-33(23)21-7-5-20(28)6-8-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.132	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50250112 (CHEMBL4072756) Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F |r| Show InChI InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (RAT)	BDBM50354849 (CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...) Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14| Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250119 (CHEMBL4098641) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-9-22-17-44-18-45-28(22)15-20)46-25-10-11-26-23(14-25)16-37-40(26)24-6-3-5-21(13-24)31(42)39-12-4-7-27(39)30(36)41/h3,5-6,8-11,13-16,19,27,29H,4,7,12,17-18H2,1-2H3,(H2,36,41)(H,38,43)/t19-,27+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250116 (CHEMBL4066614) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2OCOCc2c1 |r| Show InChI InChI=1S/C27H24F3N3O4/c1-16(32-26(34)27(2,29)30)25(17-3-10-24-19(11-17)14-35-15-36-24)37-22-8-9-23-18(12-22)13-31-33(23)21-6-4-20(28)5-7-21/h3-13,16,25H,14-15H2,1-2H3,(H,32,34)/t16-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.156	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250112 (CHEMBL4072756) Show SMILES COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F |r| Show InChI InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141368 (US8916600, 2 | US8916600, 3 | US9738632, Example 2) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141378 (US8916600, 12 | US9738632, Example 12) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141375 (US8916600, 9 | US9738632, Example 9) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCOC1)c1ccc2COCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-7-22-16-42-18-43-28(22)14-20)44-26-8-9-27-23(13-26)15-35-38(27)25-5-3-4-21(12-25)30(39)37-24-10-11-41-17-24/h3-9,12-15,19,24,29H,10-11,16-18H2,1-2H3,(H,36,40)(H,37,39)/t19-,24-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM236918 (US9388189, 1) Show SMILES C[C@H](Nc1ncnc(N)c1-c1nnn[nH]1)c1nn2cccc2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C19H17N11O/c1-11(23-16-14(15(20)21-10-22-16)17-24-27-28-25-17)18-26-29-9-5-8-13(29)19(31)30(18)12-6-3-2-4-7-12/h2-11H,1H3,(H3,20,21,22,23)(H,24,25,27,28)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) preincubated for 30 mins followed by insulin stimulation for 5 mins by Western blot analysis				J Med Chem 62: 4783-4814 (2019) Article DOI: 10.1021/acs.jmedchem.8b01298 BindingDB Entry DOI: 10.7270/Q25D8W6S
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50512872 (CHEMBL4470131) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2cc1-c1ccccc1 |r| Show InChI InChI=1S/C20H16ClN7/c1-12(27-20-15(8-22)19(23)25-11-26-20)14-7-18-24-9-17(21)28(18)10-16(14)13-5-3-2-4-6-13/h2-7,9-12H,1H3,(H3,23,25,26,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin)				J Med Chem 62: 4783-4814 (2019) Article DOI: 10.1021/acs.jmedchem.8b01298 BindingDB Entry DOI: 10.7270/Q25D8W6S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203443 (CHEMBL3892759) Show SMILES CCc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)CO |r| Show InChI InChI=1S/C26H26FN3O3/c1-3-18-4-6-19(7-5-18)26(17(2)29-25(32)16-31)33-23-12-13-24-20(14-23)15-28-30(24)22-10-8-21(27)9-11-22/h4-15,17,26,31H,3,16H2,1-2H3,(H,29,32)/t17-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250127 (CHEMBL4096557) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H31F2N5O4/c1-19(36-30(41)31(2,32)33)27(20-8-4-3-5-9-20)42-24-13-14-25-22(17-24)18-35-38(25)23-11-6-10-21(16-23)29(40)37-15-7-12-26(37)28(34)39/h3-6,8-11,13-14,16-19,26-27H,7,12,15H2,1-2H3,(H2,34,39)(H,36,41)/t19-,26+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediate...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM141367 (US8916600, 1 | US8916600, 4 | US9738632, Example 1) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50250118 (CHEMBL4070346) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N1CCC[C@@H]1C(N)=O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C33H33F2N5O6/c1-19(38-32(43)33(2,34)35)29(20-8-11-27-28(17-20)45-14-13-44-27)46-24-9-10-25-22(16-24)18-37-40(25)23-6-3-5-21(15-23)31(42)39-12-4-7-26(39)30(36)41/h3,5-6,8-11,15-19,26,29H,4,7,12-14H2,1-2H3,(H2,36,41)(H,38,43)/t19-,26+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50203436 (CHEMBL3935790) Show SMILES COc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(C)(C)C |r| Show InChI InChI=1S/C28H30FN3O3/c1-18(31-27(33)28(2,3)4)26(19-6-12-23(34-5)13-7-19)35-24-14-15-25-20(16-24)17-30-32(25)22-10-8-21(29)9-11-22/h6-18,26H,1-5H3,(H,31,33)/t18-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduc...				Bioorg Med Chem Lett 26: 5741-5748 (2016) Article DOI: 10.1016/j.bmcl.2016.10.052 BindingDB Entry DOI: 10.7270/Q2NP26D1
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM141378 (US8916600, 12 | US9738632, Example 12) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM141372 (US8916600, 6 | US9738632, Example 6) Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins follow...				J Med Chem 60: 8591-8605 (2017) Article DOI: 10.1021/acs.jmedchem.7b01215 BindingDB Entry DOI: 10.7270/Q2RX9FH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM350391 ((S)-4-amino-6-((1-(3-chloro-6-phenylimidazo[1,2-b]...) Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1 |r| Show InChI InChI=1S/C19H15ClN8/c1-11(26-19-14(8-21)18(22)24-10-25-19)13-7-16-23-9-15(20)28(16)27-17(13)12-5-3-2-4-6-12/h2-7,9-11H,1H3,(H3,22,24,25,26)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 62: 4783-4814 (2019) Article DOI: 10.1021/acs.jmedchem.8b01298 BindingDB Entry DOI: 10.7270/Q25D8W6S
					More data for this Ligand-Target Pair

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