Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'yamin' and Initial = 'tt'   

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))	BDBM19202 ((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5| Show InChI InChI=1S/C24H25FN2OS/c1-23-13-16-14-26-27(20-8-6-19(25)7-9-20)21(16)12-17(23)4-3-5-22(23)24(2,28)18-10-11-29-15-18/h6-12,14-15,22,28H,3-5,13H2,1-2H3/t22-,23-,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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167799 (1-(4-fluorophenyl)-4a-methyl-4',5'-divinyl-(4'R,4a...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C24H25FN2O2/c1-4-21-22(5-2)29-24(28-21)12-6-7-17-13-20-16(14-23(17,24)3)15-26-27(20)19-10-8-18(25)9-11-19/h4-5,8-11,13,15,21-22H,1-2,6-7,12,14H2,3H3/t21-,22-,23+/m1/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human glucocorticoid receptor				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167799 (1-(4-fluorophenyl)-4a-methyl-4',5'-divinyl-(4'R,4a...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C24H25FN2O2/c1-4-21-22(5-2)29-24(28-21)12-6-7-17-13-20-16(14-23(17,24)3)15-26-27(20)19-10-8-18(25)9-11-19/h4-5,8-11,13,15,21-22H,1-2,6-7,12,14H2,3H3/t21-,22-,23+/m1/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19224 ((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1csc2ccccc12 |r,t:5| Show InChI InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23-,26-,27+/m1/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19224 ((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1csc2ccccc12 |r,t:5| Show InChI InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23-,26-,27+/m1/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	1.5	n/a	6	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19199 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5| Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167810 (1-(4-fluorophenyl)-4',4',4a,6'-tetramethyl-(4aS,6'...) Show SMILES C[C@@H]1CC(C)(C)O[C@@]2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O1 |t:10| Show InChI InChI=1S/C23H27FN2O2/c1-15-12-21(2,3)28-23(27-15)10-9-17-11-20-16(13-22(17,23)4)14-25-26(20)19-7-5-18(24)6-8-19/h5-8,11,14-15H,9-10,12-13H2,1-4H3/t15-,22+,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19225 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:4| Show InChI InChI=1S/C26H23FN2OS/c1-26-13-16-14-28-29(19-9-7-18(27)8-10-19)23(16)12-17(26)6-11-22(26)25(30)21-15-31-24-5-3-2-4-20(21)24/h2-5,7-10,12,14-15,22,25,30H,6,11,13H2,1H3/t22-,25+,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	5	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167815 (1-(4-fluorophenyl)-4',4',4a,6'-tetramethyl-(4aS,6'...) Show SMILES C[C@@H]1CC(C)(C)O[C@]2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O1 |t:10| Show InChI InChI=1S/C23H27FN2O2/c1-15-12-21(2,3)28-23(27-15)10-9-17-11-20-16(13-22(17,23)4)14-25-26(20)19-7-5-18(24)6-8-19/h5-8,11,14-15H,9-10,12-13H2,1-4H3/t15-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19231 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1coc2ccccc12 |r,t:4| Show InChI InChI=1S/C26H23FN2O2/c1-26-13-16-14-28-29(19-9-7-18(27)8-10-19)23(16)12-17(26)6-11-22(26)25(30)21-15-31-24-5-3-2-4-20(21)24/h2-5,7-10,12,14-15,22,25,30H,6,11,13H2,1H3/t22-,25+,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	3	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167811 (1-(4-fluorophenyl)-4a-methyl-4',5'-di[(E)-1-propen...) Show SMILES C\C=C\[C@H]1OC2(CCCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1\C=C\C |t:9| Show InChI InChI=1S/C26H29FN2O2/c1-4-7-23-24(8-5-2)31-26(30-23)14-6-9-19-15-22-18(16-25(19,26)3)17-28-29(22)21-12-10-20(27)11-13-21/h4-5,7-8,10-13,15,17,23-24H,6,9,14,16H2,1-3H3/b7-4+,8-5+/t23-,24-,25+/m1/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167809 (1-(4-fluorophenyl)-4a-methyl-4',5'-di[(E)-1-propen...) Show SMILES C\C=C\[C@H]1OC2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1\C=C\C |t:8| Show InChI InChI=1S/C25H27FN2O2/c1-4-6-22-23(7-5-2)30-25(29-22)13-12-18-14-21-17(15-24(18,25)3)16-27-28(21)20-10-8-19(26)9-11-20/h4-11,14,16,22-23H,12-13,15H2,1-3H3/b6-4+,7-5+/t22-,23-,24+/m1/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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50165103 ((R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccoc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C23H23FN2O2/c1-23-12-16-13-25-26(19-7-5-18(24)6-8-19)21(16)11-17(23)3-2-4-20(23)22(27)15-9-10-28-14-15/h5-11,13-14,20,22,27H,2-4,12H2,1H3/t20-,22+,23+/m1/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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19226 ((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1csc2ccccc12 |r,t:4| Show InChI InChI=1S/C26H23FN2OS/c1-26-13-16-14-28-29(19-9-7-18(27)8-10-19)23(16)12-17(26)6-11-22(26)25(30)21-15-31-24-5-3-2-4-20(21)24/h2-5,7-10,12,14-15,22,25,30H,6,11,13H2,1H3/t22-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	10	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167792 (1-(4-fluorophenyl)-4',4a,6'-trimethyl-(4'R,4aS,6'S...) Show SMILES C[C@H]1C[C@@H](C)O[C@]2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O1 |t:9| Show InChI InChI=1S/C22H25FN2O2/c1-14-10-15(2)27-22(26-14)9-8-17-11-20-16(12-21(17,22)3)13-24-25(20)19-6-4-18(23)5-7-19/h4-7,11,13-15H,8-10,12H2,1-3H3/t14-,15+,21-,22-/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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19232 ((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1coc2ccccc12 |r,t:4| Show InChI InChI=1S/C26H23FN2O2/c1-26-13-16-14-28-29(19-9-7-18(27)8-10-19)23(16)12-17(26)6-11-22(26)25(30)21-15-31-24-5-3-2-4-20(21)24/h2-5,7-10,12,14-15,22,25,30H,6,11,13H2,1H3/t22-,25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90	n/a	5	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19210 ((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccc(F)cc1 |r,t:5| Show InChI InChI=1S/C26H26F2N2O/c1-26-15-18-16-29-30(22-11-9-21(28)10-12-22)24(18)14-19(26)3-2-4-23(26)25(31)13-17-5-7-20(27)8-6-17/h5-12,14,16,23,25,31H,2-4,13,15H2,1H3/t23-,25+,26+/m1/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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19229 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cccc2ccccc12 |r,t:4| Show InChI InChI=1S/C28H25FN2O/c1-28-16-19-17-30-31(22-12-10-21(29)11-13-22)26(19)15-20(28)9-14-25(28)27(32)24-8-4-6-18-5-2-3-7-23(18)24/h2-8,10-13,15,17,25,27,32H,9,14,16H2,1H3/t25-,27+,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	48	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19223 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:5| Show InChI InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23-,26+,27+/m1/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	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19217 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccsc1 |r,t:5| Show InChI InChI=1S/C23H23FN2OS/c1-23-12-16-13-25-26(19-7-5-18(24)6-8-19)21(16)11-17(23)3-2-4-20(23)22(27)15-9-10-28-14-15/h5-11,13-14,20,22,27H,2-4,12H2,1H3/t20-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	1	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19223 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:5| Show InChI InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23-,26+,27+/m1/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	5.10	n/a	18	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19192 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5| Show InChI InChI=1S/C25H24F2N2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24+,25+/m1/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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19192 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5| Show InChI InChI=1S/C25H24F2N2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24+,25+/m1/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	5.30	n/a	9.70	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167797 (4',5'-diethyl-1-(4-fluorophenyl)-4a-methyl-(4'R,4a...) Show SMILES CC[C@H]1OC2(CCCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1CC |t:8| Show InChI InChI=1S/C24H29FN2O2/c1-4-21-22(5-2)29-24(28-21)12-6-7-17-13-20-16(14-23(17,24)3)15-26-27(20)19-10-8-18(25)9-11-19/h8-11,13,15,21-22H,4-7,12,14H2,1-3H3/t21-,22-,23+/m1/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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167807 (1-(4-fluorophenyl)-4a-methyl-4'-vinyl-(4'S,4aS,5'R...) Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@]21OC[C@@H](O1)C=C)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C21H21FN2O2/c1-3-18-13-25-21(26-18)9-8-15-10-19-14(11-20(15,21)2)12-23-24(19)17-6-4-16(22)5-7-17/h3-7,10,12,18H,1,8-9,11,13H2,2H3/t18-,20-,21+/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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167798 (1-(4-fluorophenyl)-4a-methyl-4'-vinyl-(4'R,4aS,5'R...) Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@]21OC[C@H](O1)C=C)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C21H21FN2O2/c1-3-18-13-25-21(26-18)9-8-15-10-19-14(11-20(15,21)2)12-23-24(19)17-6-4-16(22)5-7-17/h3-7,10,12,18H,1,8-9,11,13H2,2H3/t18-,20+,21-/m1/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	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19230 ((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1cccc2ccccc12 |r,t:4| Show InChI InChI=1S/C28H25FN2O/c1-28-16-19-17-30-31(22-12-10-21(29)11-13-22)26(19)15-20(28)9-14-25(28)27(32)24-8-4-6-18-5-2-3-7-23(18)24/h2-8,10-13,15,17,25,27,32H,9,14,16H2,1H3/t25-,27-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	33	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167806 (4',5'-diethyl-1-(4-fluorophenyl)-4a-methyl-(4'R,4a...) Show SMILES CC[C@H]1OC2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1CC |t:7| Show InChI InChI=1S/C23H27FN2O2/c1-4-20-21(5-2)28-23(27-20)11-10-16-12-19-15(13-22(16,23)3)14-25-26(19)18-8-6-17(24)7-9-18/h6-9,12,14,20-21H,4-5,10-11,13H2,1-3H3/t20-,21-,22+/m1/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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50165105 ((R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1cccs1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C23H23FN2OS/c1-23-13-15-14-25-26(18-9-7-17(24)8-10-18)20(15)12-16(23)4-2-5-19(23)22(27)21-6-3-11-28-21/h3,6-12,14,19,22,27H,2,4-5,13H2,1H3/t19-,22-,23+/m1/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	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167790 (1-(4-fluorophenyl)-4',4a,6'-trimethyl-(4'S,4aS,6'S...) Show SMILES C[C@H]1C[C@H](C)O[C@@]2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O1 |t:9| Show InChI InChI=1S/C22H25FN2O2/c1-14-10-15(2)27-22(26-14)9-8-17-11-20-16(12-21(17,22)3)13-24-25(20)19-6-4-18(23)5-7-19/h4-7,11,13-15H,8-10,12H2,1-3H3/t14-,15-,21-/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	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human glucocorticoid receptor				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167790 (1-(4-fluorophenyl)-4',4a,6'-trimethyl-(4'S,4aS,6'S...) Show SMILES C[C@H]1C[C@H](C)O[C@@]2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O1 |t:9| Show InChI InChI=1S/C22H25FN2O2/c1-14-10-15(2)27-22(26-14)9-8-17-11-20-16(12-21(17,22)3)13-24-25(20)19-6-4-18(23)5-7-19/h4-7,11,13-15H,8-10,12H2,1-3H3/t14-,15-,21-/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	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50165106 ((R)-(5-Chloro-thiophen-2-yl)-[(4aR,5S)-1-(4-fluoro...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(Cl)s1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C23H22ClFN2OS/c1-23-12-14-13-26-27(17-7-5-16(25)6-8-17)19(14)11-15(23)3-2-4-18(23)22(28)20-9-10-21(24)29-20/h5-11,13,18,22,28H,2-4,12H2,1H3/t18-,22-,23+/m1/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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167796 (1-(4-fluorophenyl)-4a-methyl-4',5'-divinyl-(4'R,4a...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C23H23FN2O2/c1-4-20-21(5-2)28-23(27-20)11-10-16-12-19-15(13-22(16,23)3)14-25-26(19)18-8-6-17(24)7-9-18/h4-9,12,14,20-21H,1-2,10-11,13H2,3H3/t20-,21-,22+/m1/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human glucocorticoid receptor				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167796 (1-(4-fluorophenyl)-4a-methyl-4',5'-divinyl-(4'R,4a...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C23H23FN2O2/c1-4-20-21(5-2)28-23(27-20)11-10-16-12-19-15(13-22(16,23)3)14-25-26(19)18-8-6-17(24)7-9-18/h4-9,12,14,20-21H,1-2,10-11,13H2,3H3/t20-,21-,22+/m1/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19218 ((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccsc1 |r,t:4| Show InChI InChI=1S/C22H21FN2OS/c1-22-11-15-12-24-25(18-5-3-17(23)4-6-18)20(15)10-16(22)2-7-19(22)21(26)14-8-9-27-13-14/h3-6,8-10,12-13,19,21,26H,2,7,11H2,1H3/t19-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	21	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167793 (1-(4-fluorophenyl)-4',4a,6'-trimethyl-(4'R,4aS,6'R...) Show SMILES C[C@@H]1C[C@@H](C)OC2(CCCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O1 |t:10| Show InChI InChI=1S/C23H27FN2O2/c1-15-11-16(2)28-23(27-15)10-4-5-18-12-21-17(13-22(18,23)3)14-25-26(21)20-8-6-19(24)7-9-20/h6-9,12,14-16H,4-5,10-11,13H2,1-3H3/t15-,16-,22+/m1/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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167804 (1-(4-fluorophenyl)-4',4a,6'-trimethyl-(4'R,4aS,6'R...) Show SMILES C[C@@H]1C[C@@H](C)OC2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O1 |t:9| Show InChI InChI=1S/C22H25FN2O2/c1-14-10-15(2)27-22(26-14)9-8-17-11-20-16(12-21(17,22)3)13-24-25(20)19-6-4-18(23)5-7-19/h4-7,11,13-15H,8-10,12H2,1-3H3/t14-,15-,21+/m1/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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167812 (1-(4-fluorophenyl)-4a-methyl-4'-phenyl-(4'R,4aS,5'...) Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@]21OC[C@H](O1)c1ccccc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C25H23FN2O2/c1-24-14-18-15-27-28(21-9-7-20(26)8-10-21)22(18)13-19(24)11-12-25(24)29-16-23(30-25)17-5-3-2-4-6-17/h2-10,13,15,23H,11-12,14,16H2,1H3/t23-,24-,25+/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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167789 (1-(4-fluorophenyl)-4a-methyl-4',5'-dipropyl-(4'R,4...) Show SMILES CCC[C@H]1OC2(CCCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1CCC |t:9| Show InChI InChI=1S/C26H33FN2O2/c1-4-7-23-24(8-5-2)31-26(30-23)14-6-9-19-15-22-18(16-25(19,26)3)17-28-29(22)21-12-10-20(27)11-13-21/h10-13,15,17,23-24H,4-9,14,16H2,1-3H3/t23-,24-,25+/m1/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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50165102 ((S)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)nc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C24H23F2N3O/c1-24-12-16-14-28-29(19-8-6-18(25)7-9-19)21(16)11-17(24)3-2-4-20(24)23(30)15-5-10-22(26)27-13-15/h5-11,13-14,20,23,30H,2-4,12H2,1H3/t20-,23-,24+/m1/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	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167817 (1-(4-fluorophenyl)-4a-methyl-4',5'-diphenyl-(4'R,4...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21O[C@@H]([C@H](O1)c1ccccc1)c1ccccc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C32H29FN2O2/c1-31-20-24-21-34-35(27-16-14-26(33)15-17-27)28(24)19-25(31)13-8-18-32(31)36-29(22-9-4-2-5-10-22)30(37-32)23-11-6-3-7-12-23/h2-7,9-12,14-17,19,21,29-30H,8,13,18,20H2,1H3/t29-,30-,31+/m1/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167818 (1-(4-fluorophenyl)-4',4a,5'-trimethyl-(4'R,4aS,5'R...) Show SMILES C[C@H]1OC2(CCCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1C |t:7| Show InChI InChI=1S/C22H25FN2O2/c1-14-15(2)27-22(26-14)10-4-5-17-11-20-16(12-21(17,22)3)13-24-25(20)19-8-6-18(23)7-9-19/h6-9,11,13-15H,4-5,10,12H2,1-3H3/t14-,15-,21+/m1/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167788 (1-(4-fluorophenyl)-4a-methyl-4',5'-diphenyl-(4'R,4...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC21O[C@@H]([C@H](O1)c1ccccc1)c1ccccc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C31H27FN2O2/c1-30-19-23-20-33-34(26-14-12-25(32)13-15-26)27(23)18-24(30)16-17-31(30)35-28(21-8-4-2-5-9-21)29(36-31)22-10-6-3-7-11-22/h2-15,18,20,28-29H,16-17,19H2,1H3/t28-,29-,30+/m1/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50165100 ((R)-(2,5-Dichloro-thiophen-3-yl)-[(4aR,5S)-1-(4-fl...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1cc(Cl)sc1Cl)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C23H21Cl2FN2OS/c1-23-11-13-12-27-28(16-7-5-15(26)6-8-16)19(13)9-14(23)3-2-4-18(23)21(29)17-10-20(24)30-22(17)25/h5-10,12,18,21,29H,2-4,11H2,1H3/t18-,21+,23+/m1/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	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19200 ((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1ccc(F)cc1 |r,t:5| Show InChI InChI=1S/C25H24F2N2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10.4	n/a	16.5	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM19216 ((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...) Show SMILES [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1ccc(F)cc1 |r,t:4| Show InChI InChI=1S/C24H22F2N2O/c1-24-13-16-14-27-28(20-9-7-19(26)8-10-20)22(16)12-17(24)4-11-21(24)23(29)15-2-5-18(25)6-3-15/h2-3,5-10,12,14,21,23,29H,4,11,13H2,1H3/t21-,23-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	6	n/a	n/a	7.5	4
Merck Research Laboratories					Assay Description The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...				Bioorg Med Chem Lett 17: 3354-61 (2007) Article DOI: 10.1016/j.bmcl.2007.03.103 BindingDB Entry DOI: 10.7270/Q2542KVJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167819 (1-(4-fluorophenyl)-4a-methyl-4'-phenyl-(4'S,4aS,5'...) Show SMILES C[C@]12Cc3cnn(c3C=C1CC[C@]21OC[C@@H](O1)c1ccccc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C25H23FN2O2/c1-24-14-18-15-27-28(21-9-7-20(26)8-10-21)22(18)13-19(24)11-12-25(24)29-16-23(30-25)17-5-3-2-4-6-17/h2-10,13,15,23H,11-12,14,16H2,1H3/t23-,24+,25-/m1/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50165104 ((R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)nc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C24H23F2N3O/c1-24-12-16-14-28-29(19-8-6-18(25)7-9-19)21(16)11-17(24)3-2-4-20(24)23(30)15-5-10-22(26)27-13-15/h5-11,13-14,20,23,30H,2-4,12H2,1H3/t20-,23+,24+/m1/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	13.6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
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	13.8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha by displacement of [3H]-dexamethasone				Bioorg Med Chem Lett 15: 2163-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.009 BindingDB Entry DOI: 10.7270/Q2WM1CXX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50167794 (1-(4-fluorophenyl)-4a-methyl-(4aS)-spiro[1,4,4a,5,...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC21OCCO1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C19H19FN2O2/c1-18-11-13-12-21-22(16-4-2-15(20)3-5-16)17(13)10-14(18)6-7-19(18)23-8-9-24-19/h2-5,10,12H,6-9,11H2,1H3/t18-/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	13.8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor alpha isoform				Bioorg Med Chem Lett 15: 2926-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.027 BindingDB Entry DOI: 10.7270/Q2X34X0Q
					More data for this Ligand-Target Pair

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