Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'kalman' and Initial = 'm'   

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
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293568 (CHEMBL563761 | Cis-N-(3-Chlorobenzyl)-N-(-4-aminoc...) Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:17.18,20.22,(3.36,-16.16,;4.05,-14.78,;3.34,-13.41,;4.42,-12.32,;5.8,-13.01,;5.57,-14.53,;7.16,-12.3,;7.23,-10.76,;8.46,-13.13,;9.83,-12.42,;11.12,-13.25,;11.05,-14.78,;12.34,-15.61,;13.71,-14.9,;13.78,-13.36,;15.14,-12.64,;12.48,-12.54,;8.39,-14.67,;7.02,-15.37,;6.95,-16.9,;8.24,-17.73,;8.16,-19.27,;9.61,-17.03,;9.69,-15.48,)| Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293558 (1-Methyl-1H-imidazole-4-carboxylic acid(3-ethyl-3-...) Show SMILES CCN1C[C@H]2[C@H](CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C21H25F3N4O2/c1-3-27-9-16-17(10-27)18(16)11-28(20(29)19-12-26(2)13-25-19)8-14-5-4-6-15(7-14)30-21(22,23)24/h4-7,12-13,16-18H,3,8-11H2,1-2H3/t16-,17+,18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293557 ((R)-N[3-phenyl-3-(4'-(4-toluoyl)phenoxy)-propyl]sa...) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(=O)c1ccc(C)cc1)c1ccccc1)CC(O)=O |r| Show InChI InChI=1S/C26H27NO4/c1-19-8-10-21(11-9-19)26(30)22-12-14-23(15-13-22)31-24(20-6-4-3-5-7-20)16-17-27(2)18-25(28)29/h3-15,24H,16-18H2,1-2H3,(H,28,29)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293559 (1-Methyl-1H-imidazole-4-carboxylic acid(3-cyclopro...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C23H27F3N4O2/c1-28-13-21(27-14-28)22(31)30(9-16-3-2-4-17(7-16)32-23(24,25)26)12-20-18-10-29(11-19(18)20)8-15-5-6-15/h2-4,7,13-15,18-20H,5-6,8-12H2,1H3/t18-,19+,20+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293560 (1-Methyl-1H-imidazole-4-carboxylic acid(3-methyl-3...) Show SMILES CN1C[C@H]2[C@H](CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C20H23F3N4O2/c1-25-8-15-16(9-25)17(15)10-27(19(28)18-11-26(2)12-24-18)7-13-4-3-5-14(6-13)29-20(21,22)23/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293561 (1-Methyl-1H-imidazole-4-carboxylic acid(3-cyclopen...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CCCC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C25H31F3N4O2/c1-30-15-23(29-16-30)24(33)32(11-18-7-4-8-19(9-18)34-25(26,27)28)14-22-20-12-31(13-21(20)22)10-17-5-2-3-6-17/h4,7-9,15-17,20-22H,2-3,5-6,10-14H2,1H3/t20-,21+,22+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293562 (1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-b...) Show SMILES CCN1C[C@H]2[C@H](CN(Cc3cccc(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C20H25ClN4O/c1-3-24-9-16-17(10-24)18(16)11-25(8-14-5-4-6-15(21)7-14)20(26)19-12-23(2)13-22-19/h4-7,12-13,16-18H,3,8-11H2,1-2H3/t16-,17+,18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293563 (1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-b...) Show SMILES CN1C[C@H]2[C@H](CN(Cc3cccc(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C19H23ClN4O/c1-22-8-15-16(9-22)17(15)10-24(7-13-4-3-5-14(20)6-13)19(25)18-11-23(2)12-21-18/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293564 (1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-4...) Show SMILES CN1C[C@H]2[C@H](CN(Cc3ccc(F)c(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293565 (1-Methyl-1H-imidazole-4-carboxylic acid(3-aza-bicy...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C19H21F3N4O2/c1-25-10-17(24-11-25)18(27)26(9-16-14-6-23-7-15(14)16)8-12-3-2-4-13(5-12)28-19(20,21)22/h2-5,10-11,14-16,23H,6-9H2,1H3/t14-,15+,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293566 (1-Methyl-1H-imidazole-4-carboxylic acid(3-aza-bicy...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H21ClN4O/c1-22-10-17(21-11-22)18(24)23(8-12-3-2-4-13(19)5-12)9-16-14-6-20-7-15(14)16/h2-5,10-11,14-16,20H,6-9H2,1H3/t14-,15+,16+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50293567 (1-Methyl-1H-imidazole-4-carboxylic acid(3-aza-bicy...) Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C18H20ClFN4O/c1-23-9-17(22-10-23)18(25)24(8-14-12-5-21-6-13(12)14)7-11-2-3-16(20)15(19)4-11/h2-4,9-10,12-14,21H,5-8H2,1H3/t12-,13+,14+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195157 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-3-me...) Show SMILES COc1ccc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:26,33| Show InChI InChI=1S/C29H34O3/c1-5-13-29(31)14-12-25-23-9-6-20-16-21(30)8-10-22(20)27(23)24(17-28(25,29)3)19-7-11-26(32-4)18(2)15-19/h7,11,15-16,23-25,31H,6,8-10,12,14,17H2,1-4H3/t23-,24+,25-,28-,29-/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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195143 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-3,5-...) Show SMILES COc1c(C)cc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34| Show InChI InChI=1S/C30H36O3/c1-6-12-30(32)13-11-26-24-9-7-20-16-22(31)8-10-23(20)27(24)25(17-29(26,30)4)21-14-18(2)28(33-5)19(3)15-21/h14-16,24-26,32H,7-11,13,17H2,1-5H3/t24-,25+,26-,29-,30-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195151 ((8S,11R,13S,14S,17S)-11-(4-allyloxy-3-chloro-pheny...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCC=C)c(Cl)c1 |c:18,t:11| Show InChI InChI=1S/C30H33ClO3/c1-4-13-30(33)14-12-25-23-9-6-19-16-21(32)8-10-22(19)28(23)24(18-29(25,30)3)20-7-11-27(26(31)17-20)34-15-5-2/h5,7,11,16-17,23-25,33H,2,6,8-10,12,14-15,18H2,1,3H3/t23-,24+,25-,29-,30-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195145 ((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-me...) Show SMILES CSc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:25,32| Show InChI InChI=1S/C28H32O2S/c1-4-14-28(30)15-13-25-23-11-7-19-16-20(29)8-12-22(19)26(23)24(17-27(25,28)2)18-5-9-21(31-3)10-6-18/h5-6,9-10,16,23-25,30H,7-8,11-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195160 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4'-methoxy-bip...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:32,39| Show InChI InChI=1S/C34H36O3/c1-4-18-34(36)19-17-31-29-15-11-25-20-26(35)12-16-28(25)32(29)30(21-33(31,34)2)24-7-5-22(6-8-24)23-9-13-27(37-3)14-10-23/h5-10,13-14,20,29-31,36H,11-12,15-17,19,21H2,1-3H3/t29-,30+,31-,33-,34-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195158 ((8S,11S,13S,14S,17S)-11-(2,6-difluoro-4-methoxy-ph...) Show SMILES COc1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(F)c1 |t:23,30| Show InChI InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-20-7-5-16-12-17(31)6-8-19(16)25(20)21(15-27(22,28)2)26-23(29)13-18(33-3)14-24(26)30/h12-14,20-22,32H,5-9,11,15H2,1-3H3/t20-,21-,22-,27-,28-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195153 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-phen...) Show SMILES COc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:25,32| Show InChI InChI=1S/C28H32O3/c1-4-14-28(30)15-13-25-23-11-7-19-16-20(29)8-12-22(19)26(23)24(17-27(25,28)2)18-5-9-21(31-3)10-6-18/h5-6,9-10,16,23-25,30H,7-8,11-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195157 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-3-me...) Show SMILES COc1ccc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:26,33| Show InChI InChI=1S/C29H34O3/c1-5-13-29(31)14-12-25-23-9-6-20-16-21(30)8-10-22(20)27(23)24(17-28(25,29)3)19-7-11-26(32-4)18(2)15-19/h7,11,15-16,23-25,31H,6,8-10,12,14,17H2,1-4H3/t23-,24+,25-,28-,29-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195155 (A-348441 | CHEMBL219684) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@H]21 |c:18,t:11| Show InChI InChI=1S/C54H75NO7/c1-7-22-54(61)24-21-43-40-15-11-34-27-37(56)14-16-39(34)49(40)41(31-52(43,54)4)33-9-12-36(13-10-33)55(6)25-26-62-38-20-23-51(3)35(28-38)29-46(57)50-44-18-17-42(32(2)8-19-48(59)60)53(44,5)47(58)30-45(50)51/h9-10,12-13,27,32,35,38,40-47,50,57-58,61H,8,11,14-21,23-26,28-31H2,1-6H3,(H,59,60)/t32-,35+,38+,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/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
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195154 ((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-ph...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(Oc2ccccc2)cc1 |c:18,t:11| Show InChI InChI=1S/C33H34O3/c1-3-18-33(35)19-17-30-28-15-11-23-20-24(34)12-16-27(23)31(28)29(21-32(30,33)2)22-9-13-26(14-10-22)36-25-7-5-4-6-8-25/h4-10,13-14,20,28-30,35H,11-12,15-17,19,21H2,1-2H3/t28-,29+,30-,32-,33-/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195148 ((8S,11R,13S,14S,17S)-11-(4-allyloxy-3-chloro-5-met...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1cc(C)c(OCC=C)c(Cl)c1 |c:18,t:11| Show InChI InChI=1S/C31H35ClO3/c1-5-12-31(34)13-11-26-24-9-7-20-16-22(33)8-10-23(20)28(24)25(18-30(26,31)4)21-15-19(3)29(27(32)17-21)35-14-6-2/h6,15-17,24-26,34H,2,7-11,13-14,18H2,1,3-4H3/t24-,25+,26-,30-,31-/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195145 ((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-me...) Show SMILES CSc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:25,32| Show InChI InChI=1S/C28H32O2S/c1-4-14-28(30)15-13-25-23-11-7-19-16-20(29)8-12-22(19)26(23)24(17-27(25,28)2)18-5-9-21(31-3)10-6-18/h5-6,9-10,16,23-25,30H,7-8,11-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195149 ((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)-c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)cc1 |c:18,t:11| Show InChI InChI=1S/C59H76O8/c1-6-25-59(65)27-24-48-45-18-14-39-30-41(60)15-19-44(39)54(45)46(34-57(48,59)4)38-10-8-36(9-11-38)37-12-16-42(17-13-37)66-28-29-67-43-23-26-56(3)40(31-43)32-51(61)55-49-21-20-47(35(2)7-22-53(63)64)58(49,5)52(62)33-50(55)56/h8-13,16-17,30,35,40,43,45-52,55,61-62,65H,7,14-15,18-24,26-29,31-34H2,1-5H3,(H,63,64)/t35-,40+,43+,45+,46-,47-,48+,49+,50+,51-,52+,55+,56+,57+,58-,59+/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195143 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-3,5-...) Show SMILES COc1c(C)cc(cc1C)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34| Show InChI InChI=1S/C30H36O3/c1-6-12-30(32)13-11-26-24-9-7-20-16-22(31)8-10-23(20)27(24)25(17-29(26,30)4)21-14-18(2)28(33-5)19(3)15-21/h14-16,24-26,32H,7-11,13,17H2,1-5H3/t24-,25+,26-,29-,30-/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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195146 ((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C54H74O8/c1-7-20-54(60)22-19-42-39-12-9-34-26-36(55)11-13-38(34)49(39)40(30-52(42,54)5)33-10-16-46(32(3)25-33)62-24-23-61-37-18-21-51(4)35(27-37)28-45(56)50-43-15-14-41(31(2)8-17-48(58)59)53(43,6)47(57)29-44(50)51/h10,16,25-26,31,35,37,39-45,47,50,56-57,60H,8-9,11-15,17-19,21-24,27-30H2,1-6H3,(H,58,59)/t31-,35+,37+,39+,40-,41-,42+,43+,44+,45-,47+,50+,51+,52+,53-,54+/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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195144 ((8S,11S,13S,14S,17S)-11-(2,5-difluoro-4-methoxy-ph...) Show SMILES COc1cc(F)c(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34| Show InChI InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-19-7-5-16-12-17(31)6-8-18(16)26(19)21(15-27(22,28)2)20-13-24(30)25(33-3)14-23(20)29/h12-14,19,21-22,32H,5-9,11,15H2,1-3H3/t19-,21+,22-,27-,28-/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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195160 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4'-methoxy-bip...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:32,39| Show InChI InChI=1S/C34H36O3/c1-4-18-34(36)19-17-31-29-15-11-25-20-26(35)12-16-28(25)32(29)30(21-33(31,34)2)24-7-5-22(6-8-24)23-9-13-27(37-3)14-10-23/h5-10,13-14,20,29-31,36H,11-12,15-17,19,21H2,1-3H3/t29-,30+,31-,33-,34-/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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195147 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-hydroxy-3-me...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(O)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C28H32O3/c1-4-12-28(31)13-11-24-22-8-5-19-15-20(29)7-9-21(19)26(22)23(16-27(24,28)3)18-6-10-25(30)17(2)14-18/h6,10,14-15,22-24,30-31H,5,7-9,11,13,16H2,1-3H3/t22-,23+,24-,27-,28-/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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195151 ((8S,11R,13S,14S,17S)-11-(4-allyloxy-3-chloro-pheny...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCC=C)c(Cl)c1 |c:18,t:11| Show InChI InChI=1S/C30H33ClO3/c1-4-13-30(33)14-12-25-23-9-6-19-16-21(32)8-10-22(19)28(23)24(18-29(25,30)3)20-7-11-27(26(31)17-20)34-15-5-2/h5,7,11,16-17,23-25,33H,2,6,8-10,12,14-15,18H2,1,3H3/t23-,24+,25-,29-,30-/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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195150 ((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1cc(C)c(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C55H76O8/c1-8-19-55(61)21-18-43-40-12-10-34-26-37(56)11-13-39(34)49(40)41(30-53(43,55)6)35-24-32(3)51(33(4)25-35)63-23-22-62-38-17-20-52(5)36(27-38)28-46(57)50-44-15-14-42(31(2)9-16-48(59)60)54(44,7)47(58)29-45(50)52/h24-26,31,36,38,40-47,50,57-58,61H,9-18,20-23,27-30H2,1-7H3,(H,59,60)/t31-,36+,38+,40+,41-,42-,43+,44+,45+,46-,47+,50+,52+,53+,54-,55+/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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195152 ((8S,11S,13S,14S,17S)-11-(2-fluoro-4,6-dimethoxy-ph...) Show SMILES COc1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(OC)c1 |t:23,30| Show InChI InChI=1S/C29H33FO4/c1-5-11-29(32)12-10-23-21-8-6-17-13-18(31)7-9-20(17)26(21)22(16-28(23,29)2)27-24(30)14-19(33-3)15-25(27)34-4/h13-15,21-23,32H,6-10,12,16H2,1-4H3/t21-,22-,23-,28-,29-/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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195153 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-phen...) Show SMILES COc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:25,32| Show InChI InChI=1S/C28H32O3/c1-4-14-28(30)15-13-25-23-11-7-19-16-20(29)8-12-22(19)26(23)24(17-27(25,28)2)18-5-9-21(31-3)10-6-18/h5-6,9-10,16,23-25,30H,7-8,11-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195159 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-2-me...) Show SMILES COc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(C)c1 |t:22,29| Show InChI InChI=1S/C29H34O3/c1-5-13-29(31)14-12-26-24-9-6-19-16-20(30)7-10-23(19)27(24)25(17-28(26,29)3)22-11-8-21(32-4)15-18(22)2/h8,11,15-16,24-26,31H,6-7,9-10,12,14,17H2,1-4H3/t24-,25+,26-,28-,29-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195155 (A-348441 | CHEMBL219684) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@H]21 |c:18,t:11| Show InChI InChI=1S/C54H75NO7/c1-7-22-54(61)24-21-43-40-15-11-34-27-37(56)14-16-39(34)49(40)41(31-52(43,54)4)33-9-12-36(13-10-33)55(6)25-26-62-38-20-23-51(3)35(28-38)29-46(57)50-44-18-17-42(32(2)8-19-48(59)60)53(44,5)47(58)30-45(50)51/h9-10,12-13,27,32,35,38,40-47,50,57-58,61H,8,11,14-21,23-26,28-31H2,1-6H3,(H,59,60)/t32-,35+,38+,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/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
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195158 ((8S,11S,13S,14S,17S)-11-(2,6-difluoro-4-methoxy-ph...) Show SMILES COc1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(F)c1 |t:23,30| Show InChI InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-20-7-5-16-12-17(31)6-8-19(16)25(20)21(15-27(22,28)2)26-23(29)13-18(33-3)14-24(26)30/h12-14,20-22,32H,5-9,11,15H2,1-3H3/t20-,21-,22-,27-,28-/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	10.1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195144 ((8S,11S,13S,14S,17S)-11-(2,5-difluoro-4-methoxy-ph...) Show SMILES COc1cc(F)c(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34| Show InChI InChI=1S/C28H30F2O3/c1-4-10-28(32)11-9-22-19-7-5-16-12-17(31)6-8-18(16)26(19)21(15-27(22,28)2)20-13-24(30)25(33-3)14-23(20)29/h12-14,19,21-22,32H,5-9,11,15H2,1-3H3/t19-,21+,22-,27-,28-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195154 ((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-ph...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(Oc2ccccc2)cc1 |c:18,t:11| Show InChI InChI=1S/C33H34O3/c1-3-18-33(35)19-17-30-28-15-11-23-20-24(34)12-16-27(23)31(28)29(21-32(30,33)2)22-9-13-26(14-10-22)36-25-7-5-4-6-8-25/h4-10,13-14,20,28-30,35H,11-12,15-17,19,21H2,1-2H3/t28-,29+,30-,32-,33-/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	18.8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195148 ((8S,11R,13S,14S,17S)-11-(4-allyloxy-3-chloro-5-met...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1cc(C)c(OCC=C)c(Cl)c1 |c:18,t:11| Show InChI InChI=1S/C31H35ClO3/c1-5-12-31(34)13-11-26-24-9-7-20-16-22(33)8-10-23(20)28(24)25(18-30(26,31)4)21-15-19(3)29(27(32)17-21)35-14-6-2/h6,15-17,24-26,34H,2,7-11,13-14,18H2,1,3-4H3/t24-,25+,26-,30-,31-/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	20.9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195149 ((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)-c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)cc1 |c:18,t:11| Show InChI InChI=1S/C59H76O8/c1-6-25-59(65)27-24-48-45-18-14-39-30-41(60)15-19-44(39)54(45)46(34-57(48,59)4)38-10-8-36(9-11-38)37-12-16-42(17-13-37)66-28-29-67-43-23-26-56(3)40(31-43)32-51(61)55-49-21-20-47(35(2)7-22-53(63)64)58(49,5)52(62)33-50(55)56/h8-13,16-17,30,35,40,43,45-52,55,61-62,65H,7,14-15,18-24,26-29,31-34H2,1-5H3,(H,63,64)/t35-,40+,43+,45+,46-,47-,48+,49+,50+,51-,52+,55+,56+,57+,58-,59+/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	23.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50203572 ((1-(4-(6-((5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl...) Show SMILES OCC1(CCCC1)N1CCN(CC1)C1CCc2ccc(OCc3noc(n3)-c3ccc(Cl)cc3)cc12 |w:13.14| Show InChI InChI=1S/C28H33ClN4O3/c29-22-7-3-21(4-8-22)27-30-26(31-36-27)18-35-23-9-5-20-6-10-25(24(20)17-23)32-13-15-33(16-14-32)28(19-34)11-1-2-12-28/h3-5,7-9,17,25,34H,1-2,6,10-16,18-19H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to GlyT1				Bioorg Med Chem Lett 19: 2974-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.035 BindingDB Entry DOI: 10.7270/Q2F76CKH
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195147 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-hydroxy-3-me...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(O)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C28H32O3/c1-4-12-28(31)13-11-24-22-8-5-19-15-20(29)7-9-21(19)26(22)23(16-27(24,28)3)18-6-10-25(30)17(2)14-18/h6,10,14-15,22-24,30-31H,5,7-9,11,13,16H2,1-3H3/t22-,23+,24-,27-,28-/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	28.6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195146 ((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C54H74O8/c1-7-20-54(60)22-19-42-39-12-9-34-26-36(55)11-13-38(34)49(39)40(30-52(42,54)5)33-10-16-46(32(3)25-33)62-24-23-61-37-18-21-51(4)35(27-37)28-45(56)50-43-15-14-41(31(2)8-17-48(58)59)53(43,6)47(57)29-44(50)51/h10,16,25-26,31,35,37,39-45,47,50,56-57,60H,8-9,11-15,17-19,21-24,27-30H2,1-6H3,(H,58,59)/t31-,35+,37+,39+,40-,41-,42+,43+,44+,45-,47+,50+,51+,52+,53-,54+/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	30.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195159 ((8S,11R,13S,14S,17S)-17-hydroxy-11-(4-methoxy-2-me...) Show SMILES COc1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(C)c1 |t:22,29| Show InChI InChI=1S/C29H34O3/c1-5-13-29(31)14-12-26-24-9-6-19-16-20(30)7-10-23(19)27(24)25(17-28(26,29)3)22-11-8-21(32-4)15-18(22)2/h8,11,15-16,24-26,31H,6-7,9-10,12,14,17H2,1-4H3/t24-,25+,26-,28-,29-/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	32	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195152 ((8S,11S,13S,14S,17S)-11-(2-fluoro-4,6-dimethoxy-ph...) Show SMILES COc1cc(F)c([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC)[C@@H]3CCC4=CC(=O)CCC4=C23)c(OC)c1 |t:23,30| Show InChI InChI=1S/C29H33FO4/c1-5-11-29(32)12-10-23-21-8-6-17-13-18(31)7-9-20(17)26(21)22(16-28(23,29)2)27-24(30)14-19(33-3)15-25(27)34-4/h13-15,21-23,32H,6-10,12,16H2,1-4H3/t21-,22-,23-,28-,29-/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	43	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195161 ((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-17-prop-...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:29,36| Show InChI InChI=1S/C30H36O5/c1-6-12-30(32)13-11-24-22-9-7-18-14-20(31)8-10-21(18)27(22)23(17-29(24,30)2)19-15-25(33-3)28(35-5)26(16-19)34-4/h14-16,22-24,32H,7-11,13,17H2,1-5H3/t22-,23+,24-,29-,30-/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	60.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GR				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50195150 ((4R)-4-[(1S,2S,5S,7R,9R,10R,11S,14R,15R,16S)-9,16-...) Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1cc(C)c(OCCO[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H](O)[C@H]2[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]32)c(C)c1 |c:18,t:11| Show InChI InChI=1S/C55H76O8/c1-8-19-55(61)21-18-43-40-12-10-34-26-37(56)11-13-39(34)49(40)41(30-53(43,55)6)35-24-32(3)51(33(4)25-35)63-23-22-62-38-17-20-52(5)36(27-38)28-46(57)50-44-15-14-42(31(2)9-16-48(59)60)54(44,7)47(58)29-45(50)52/h24-26,31,36,38,40-47,50,57-58,61H,9-18,20-23,27-30H2,1-7H3,(H,59,60)/t31-,36+,38+,40+,41-,42-,43+,44+,45+,46-,47+,50+,52+,53+,54-,55+/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	200	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay				Bioorg Med Chem Lett 16: 6086-90 (2006) Article DOI: 10.1016/j.bmcl.2006.08.133 BindingDB Entry DOI: 10.7270/Q2H132TB
					More data for this Ligand-Target Pair

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