Compile Data Set for Download or QSAR

Found 2102 hits with Last Name = 'lau' and Initial = 't'   

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
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.200	-57.6	n/a	n/a	5.10	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 5049-52 (2007) Article DOI: 10.1021/jm070231h BindingDB Entry DOI: 10.7270/Q29Z935Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222885 (6-(4-fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)...) Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 |w:7.7| Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214923 ((Z)-5-(4-fluoro-2-(hydroxymethyl)benzylidene)-10-m...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3CO)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30| Show InChI InChI=1S/C28H28FNO4/c1-15-13-28(2,3)30-20-8-7-19-25(24(15)20)23(12-16-5-6-18(29)11-17(16)14-31)34-22-10-9-21(32)27(33-4)26(19)22/h5-13,20,24,30-32H,14H2,1-4H3/b23-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214929 ((Z)-5-(4-fluoro-2-((methoxymethoxy)methyl)benzylid...) Show SMILES COCOCc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:27.38,26.28,c:26,35,39| Show InChI InChI=1S/C30H32FNO5/c1-17-14-30(2,3)32-22-9-8-21-27(26(17)22)25(37-24-11-10-23(33)29(35-5)28(21)24)13-18-6-7-20(31)12-19(18)15-36-16-34-4/h6-14,22,26,32-33H,15-16H2,1-5H3/b25-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50031704 ((2S,4R)-2-Amino-4-methyl-pentanedioic acid | (2S,4...) Show SMILES C[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	0.663	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat recombinant iGluR5				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214949 ((Z)-5-(2-fluorobenzylidene)-10-methoxy-2,2,4-trime...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H26FNO3/c1-15-14-27(2,3)29-19-10-9-17-24(23(15)19)22(13-16-7-5-6-8-18(16)28)32-21-12-11-20(30)26(31-4)25(17)21/h5-14,19,23,29-30H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222867 ((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...) Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222867 ((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...) Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222875 (6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-(piperidi...) Show SMILES Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1CC1CCCNC1 |w:27.30| Show InChI InChI=1S/C27H26FN3O2/c1-18-5-2-3-7-23(18)26-30-25-13-12-22(33-21-10-8-20(28)9-11-21)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 18: 2967-71 (2008) Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18216 ((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...) Show SMILES C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 18: 2967-71 (2008) Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214932 ((Z)-5-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methy...) Show SMILES COc1c(O)ccc2O\C(=C/c3cc(F)cc4COCOc34)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.36,c:26,t:24,33| Show InChI InChI=1S/C29H28FNO5/c1-15-12-29(2,3)31-20-6-5-19-25(24(15)20)23(36-22-8-7-21(32)28(33-4)26(19)22)11-16-9-18(30)10-17-13-34-14-35-27(16)17/h5-12,20,24,31-32H,13-14H2,1-4H3/b23-11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214919 ((Z)-(5-fluoro-2-((9-hydroxy-10-methoxy-2,2,4-trime...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3C(=O)N3CCCCC3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:30.31,38.40,c:30,t:28,37| Show InChI InChI=1S/C33H35FN2O4/c1-19-18-33(2,3)35-24-11-10-22-29(28(19)24)27(40-26-13-12-25(37)31(39-4)30(22)26)16-20-8-9-21(34)17-23(20)32(38)36-14-6-5-7-15-36/h8-13,16-18,24,28,35,37H,5-7,14-15H2,1-4H3/b27-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214942 ((Z)-5-(4-hydroxybenzylidene)-10-methoxy-2,2,4-trim...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(O)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H27NO4/c1-15-14-27(2,3)28-19-10-9-18-24(23(15)19)22(13-16-5-7-17(29)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,19,23,28-30H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50377413 (CHEMBL257379) Show SMILES Cc1cccc(c1)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H16F6N2O2/c1-11-3-2-4-12(5-11)17-9-31-18-8-15-13(6-16(18)29(17)10-20(22,23)24)14(21(25,26)27)7-19(30)28-15/h2-8,17H,9-10H2,1H3,(H,28,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 18: 2967-71 (2008) Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50252103 ((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...) Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat recombinant iGluR5				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50377414 (CHEMBL402835) Show SMILES FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C20H14F6N2O2/c21-19(22,23)10-28-15-6-12-13(20(24,25)26)7-18(29)27-14(12)8-17(15)30-9-16(28)11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,27,29)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 18: 2967-71 (2008) Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214922 ((Z)-5-(3-hydroxybenzylidene)-10-methoxy-2,2,4-trim...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(O)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H27NO4/c1-15-14-27(2,3)28-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(29)12-16)32-21-11-10-20(30)26(31-4)25(18)21/h5-14,19,23,28-30H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214928 ((Z)-(2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-...) Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3C(=O)N3CCCCC3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:36.37,28.29,c:28,t:26,35| Show InChI InChI=1S/C31H34N2O4S/c1-18-17-31(2,3)32-21-9-8-20-27(26(18)21)24(37-23-11-10-22(34)29(36-4)28(20)23)16-25-19(12-15-38-25)30(35)33-13-6-5-7-14-33/h8-12,15-17,21,26,32,34H,5-7,13-14H2,1-4H3/b24-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214935 (5-fluoro-2-((Z)-(9-hydroxy-10-methoxy-2,2,4-trimet...) Show SMILES COc1c(O)ccc2OC(=Cc3ccc(F)cc3CN=O)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:25.25,33.34,10.10,c:24,t:22,31| Show InChI InChI=1S/C28H27FN2O4/c1-15-13-28(2,3)31-20-8-7-19-25(24(15)20)23(12-16-5-6-18(29)11-17(16)14-30-33)35-22-10-9-21(32)27(34-4)26(19)22/h5-13,20,24,31-32H,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18522 (6-(1-Pyrrolidine)quinolin-2(1H)-one, 6a | 6-[(2R,5...) Show SMILES C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	1.5	-52.4	n/a	n/a	7.10	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 5049-52 (2007) Article DOI: 10.1021/jm070231h BindingDB Entry DOI: 10.7270/Q29Z935Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214921 ((Z)-5-(3-(pyridin-3-yl)benzylidene)-10-methoxy-2,2...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3)-c3cccnc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.28,35.37,c:27,t:25,34| Show InChI InChI=1S/C32H30N2O3/c1-19-17-32(2,3)34-24-11-10-23-29(28(19)24)27(37-26-13-12-25(35)31(36-4)30(23)26)16-20-7-5-8-21(15-20)22-9-6-14-33-18-22/h5-18,24,28,34-35H,1-4H3/b27-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214933 ((Z)-10-methoxy-2,2,4-trimethyl-5-((6-methylpyridin...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)n3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.23,30.30,c:21,t:19,28| Show InChI InChI=1S/C27H28N2O3/c1-15-14-27(3,4)29-19-10-9-18-24(23(15)19)22(13-17-8-6-7-16(2)28-17)32-21-12-11-20(30)26(31-5)25(18)21/h6-14,19,23,29-30H,1-5H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222859 (6-(4-chlorophenyl)-3-{[(3S)-1-ethylpiperidin-3-yl]...) Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1 Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214927 ((Z)-5-(4-chlorobenzylidene)-10-methoxy-2,2,4-trime...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(Cl)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H26ClNO3/c1-15-14-27(2,3)29-19-10-9-18-24(23(15)19)22(13-16-5-7-17(28)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,19,23,29-30H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214943 (10-methoxy-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-y...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C28H29NO3/c1-16-8-6-7-9-18(16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222873 (6-(4-chlorophenyl)-3-[(1-isopropylpiperidin-3-yl)m...) Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1 |w:7.7| Show InChI InChI=1S/C30H32ClN3O/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-12-24(17-27(28)30(34)35)23-10-13-25(31)14-11-23/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222884 (6-(4-chlorophenyl)-3-[(-1-ethylpiperidin-3-yl)meth...) Show SMILES CCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1 |w:6.6| Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214945 (10-methoxy-2,2,4-trimethyl-5-[1-p-tolyl-meth-(Z)-y...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(C)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C28H29NO3/c1-16-6-8-18(9-7-16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214937 ((Z)-5-(4-ethylbenzylidene)-10-methoxy-2,2,4-trimet...) Show SMILES CCc1ccc(\C=C2/Oc3ccc(O)c(OC)c3C3=C2C2C(NC(C)(C)C=C2C)C=C3)cc1 |w:21.31,20.21,c:19,28,32| Show InChI InChI=1S/C29H31NO3/c1-6-18-7-9-19(10-8-18)15-24-26-20(27-23(33-24)14-13-22(31)28(27)32-5)11-12-21-25(26)17(2)16-29(3,4)30-21/h7-16,21,25,30-31H,6H2,1-5H3/b24-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50377415 (CHEMBL404483) Show SMILES CSCC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O2S/c1-28-3-2-9-7-27-14-6-12-10(4-13(14)25(9)8-16(18,19)20)11(17(21,22)23)5-15(26)24-12/h4-6,9H,2-3,7-8H2,1H3,(H,24,26)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 18: 2967-71 (2008) Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214947 ((Z)-5-fluoro-2-((9-hydroxy-10-methoxy-2,2,4-trimet...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.27,35.36,c:26,t:24,33| Show InChI InChI=1S/C30H31FN2O4/c1-16-15-30(2,3)32-21-10-9-19-26(25(16)21)24(37-23-12-11-22(34)28(36-6)27(19)23)13-17-7-8-18(31)14-20(17)29(35)33(4)5/h7-15,21,25,32,34H,1-6H3/b24-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222863 (6-(4-chlorophenyl)-3-[(1-cyclobutylpiperidin-3-yl)...) Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(C1)C1CCC1)-c1ccc(Cl)cc1 |w:19.21| Show InChI InChI=1S/C31H32ClN3O/c1-21-6-2-3-10-27(21)30-33-29-16-13-24(23-11-14-25(32)15-12-23)18-28(29)31(36)35(30)20-22-7-5-17-34(19-22)26-8-4-9-26/h2-3,6,10-16,18,22,26H,4-5,7-9,17,19-20H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214944 (10-methoxy-2,2,4-trimethyl-5-[1-m-tolyl-meth-(Z)-y...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C28H29NO3/c1-16-7-6-8-18(13-16)14-23-25-19(26-22(32-23)12-11-21(30)27(26)31-5)9-10-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50377419 (CHEMBL429311) Show SMILES FC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H11F7N2O2/c16-4-7-5-26-12-3-10-8(1-11(12)24(7)6-14(17,18)19)9(15(20,21)22)2-13(25)23-10/h1-3,7H,4-6H2,(H,23,25)/t7-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells				Bioorg Med Chem Lett 18: 2967-71 (2008) Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214946 ((Z)-5-(2-methyl-3-(trifluoromethyl)benzylidene)-10...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3C)C(F)(F)F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32| Show InChI InChI=1S/C29H28F3NO3/c1-15-14-28(3,4)33-20-10-9-18-25(24(15)20)23(36-22-12-11-21(34)27(35-5)26(18)22)13-17-7-6-8-19(16(17)2)29(30,31)32/h6-14,20,24,33-34H,1-5H3/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214938 ((Z)-5-(4-methoxybenzylidene)-10-methoxy-2,2,4-trim...) Show SMILES COc1ccc(\C=C2/Oc3ccc(O)c(OC)c3C3=C2C2C(NC(C)(C)C=C2C)C=C3)cc1 |w:21.31,20.21,c:19,28,32| Show InChI InChI=1S/C28H29NO4/c1-16-15-28(2,3)29-20-11-10-19-25(24(16)20)23(14-17-6-8-18(31-4)9-7-17)33-22-13-12-21(30)27(32-5)26(19)22/h6-15,20,24,29-30H,1-5H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214936 ((Z)-5-(3-(trifluoromethyl)benzylidene)-10-methoxy-...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3)C(F)(F)F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:25.25,33.34,c:24,t:22,31| Show InChI InChI=1S/C28H26F3NO3/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(12-16)28(29,30)31)35-21-11-10-20(33)26(34-4)25(18)21/h5-14,19,23,32-33H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214948 ((Z)-5-(4-isopropylbenzylidene)-10-methoxy-2,2,4-tr...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(cc3)C(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30| Show InChI InChI=1S/C30H33NO3/c1-17(2)20-9-7-19(8-10-20)15-25-27-21(28-24(34-25)14-13-23(32)29(28)33-6)11-12-22-26(27)18(3)16-30(4,5)31-22/h7-17,22,26,31-32H,1-6H3/b25-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214934 ((Z)-5-(2-((diethylamino)methyl)-4-fluorobenzyliden...) Show SMILES CCN(CC)Cc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:28.39,27.29,c:27,36,40| Show InChI InChI=1S/C32H37FN2O3/c1-7-35(8-2)18-21-15-22(33)10-9-20(21)16-27-29-23(30-26(38-27)14-13-25(36)31(30)37-6)11-12-24-28(29)19(3)17-32(4,5)34-24/h9-17,24,28,34,36H,7-8,18H2,1-6H3/b27-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214920 ((Z)-5-(3-(thiophen-3-yl)benzylidene)-10-methoxy-2,...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3)-c3ccsc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.36,c:26,t:24,33| Show InChI InChI=1S/C31H29NO3S/c1-18-16-31(2,3)32-23-9-8-22-28(27(18)23)26(35-25-11-10-24(33)30(34-4)29(22)25)15-19-6-5-7-20(14-19)21-12-13-36-17-21/h5-17,23,27,32-33H,1-4H3/b26-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50426285 (CHEMBL2312403) Show SMILES CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluKK1(Q)1b receptor expressed in sf9 cells by liquid scintillati...				J Med Chem 56: 1614-28 (2013) Article DOI: 10.1021/jm301433m BindingDB Entry DOI: 10.7270/Q23F4R0N
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214926 ((Z)-2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-d...) Show SMILES COc1c(O)ccc2O\C(=C/c3oc(C)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.34,c:25,t:23,32| Show InChI InChI=1S/C29H32N2O5/c1-15-14-29(3,4)30-19-9-8-17-25(24(15)19)23(36-21-11-10-20(32)27(34-7)26(17)21)13-22-18(12-16(2)35-22)28(33)31(5)6/h8-14,19,24,30,32H,1-7H3/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50252051 ((2S,4R)-2-amino-4-(3-(methylamino)-3-oxopropyl)pen...) Show SMILES CNC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H16N2O5/c1-11-7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	3.81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat recombinant iGluR5				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 3 (Rattus norvegicus)	BDBM50252103 ((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...) Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite Blaise Pascal Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat recombinant iGluR7				J Med Chem 51: 4093-103 (2008) Article DOI: 10.1021/jm800092x BindingDB Entry DOI: 10.7270/Q20V8DP6
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222879 (6-(4-chlorophenyl)-3-{[1-(2-methoxyethyl)piperidin...) Show SMILES COCCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1 |w:8.8| Show InChI InChI=1S/C30H32ClN3O2/c1-21-6-3-4-8-26(21)29-32-28-14-11-24(23-9-12-25(31)13-10-23)18-27(28)30(35)34(29)20-22-7-5-15-33(19-22)16-17-36-2/h3-4,6,8-14,18,22H,5,7,15-17,19-20H2,1-2H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Ovis aries)	BDBM50222858 (6-(4-fluorophenoxy)-2-isopropyl-3-[(1-isopropylpip...) Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C(C)C)C1 Show InChI InChI=1S/C26H32FN3O2/c1-17(2)25-28-24-12-11-22(32-21-9-7-20(27)8-10-21)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay				J Med Chem 50: 5202-16 (2007) Article DOI: 10.1021/jm070071+ BindingDB Entry DOI: 10.7270/Q2WH2QT2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214940 ((Z)-5-(3-(trifluoromethoxy)benzylidene)-10-methoxy...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(OC(F)(F)F)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32| Show InChI InChI=1S/C28H26F3NO4/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(35-21-11-10-20(33)26(34-4)25(18)21)13-16-6-5-7-17(12-16)36-28(29,30)31/h5-14,19,23,32-33H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214924 ((Z)-5-(4-(trifluoromethoxy)benzylidene)-10-methoxy...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(OC(F)(F)F)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32| Show InChI InChI=1S/C28H26F3NO4/c1-15-14-27(2,3)32-19-10-9-18-24(23(15)19)22(35-21-12-11-20(33)26(34-4)25(18)21)13-16-5-7-17(8-6-16)36-28(29,30)31/h5-14,19,23,32-33H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214930 (5-[1-biphenyl-4-yl-meth-(Z)-ylidene]-10-methoxy-2,...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(cc3)-c3ccccc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.28,35.37,c:27,t:25,34| Show InChI InChI=1S/C33H31NO3/c1-20-19-33(2,3)34-25-15-14-24-30(29(20)25)28(37-27-17-16-26(35)32(36-4)31(24)27)18-21-10-12-23(13-11-21)22-8-6-5-7-9-22/h5-19,25,29,34-35H,1-4H3/b28-18-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair

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