Compile Data Set for Download or QSAR

Found 609 hits with Last Name = 'unni' and Initial = 'd'   

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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50579634 (CHEMBL4860369) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110delta/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50579637 (CHEMBL4878958) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110delta/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50579637 (CHEMBL4878958) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3Kgamma by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50579634 (CHEMBL4860369) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50579637 (CHEMBL4878958) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50579637 (CHEMBL4878958) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110beta/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50579634 (CHEMBL4860369) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110beta/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50579634 (CHEMBL4860369) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3Kgamma by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440220 (CHEMBL2426624) Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440220 (CHEMBL2426624) Show SMILES CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H20FN5OS/c1-16(24(32)29-25-30-27-15-33-25)23(17-5-3-2-4-6-17)18-7-12-22-19(13-18)14-28-31(22)21-10-8-20(26)9-11-21/h2-16,23H,1H3,(H,29,30,32)/t16?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440105 (CHEMBL2426114) Show SMILES CC(C)(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H26FN3O2S/c1-25(2,17-28-32(3,30)31)24(18-7-5-4-6-8-18)19-9-14-23-20(15-19)16-27-29(23)22-12-10-21(26)11-13-22/h4-16,24,28H,17H2,1-3H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36608 (Rapamycin C-7, analog 1) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42-,43+,44-,46-,47+,51-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals					Assay Description FKBP12 assay using rapamycin analogs.				Chem Biol 2: 471-81 (1995) Article DOI: 10.1016/1074-5521(95)90264-3 BindingDB Entry DOI: 10.7270/Q2CZ35J2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440097 (CHEMBL2426118) Show SMILES CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F4N3O2S/c1-25(2,16-32-36(34,35)17-26(28,29)30)24(18-6-4-3-5-7-18)19-8-13-23-20(14-19)15-31-33(23)22-11-9-21(27)10-12-22/h3-15,24,32H,16-17H2,1-2H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440104 (CHEMBL2426115) Show SMILES CCS(=O)(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H28FN3O2S/c1-4-33(31,32)29-18-26(2,3)25(19-8-6-5-7-9-19)20-10-15-24-21(16-20)17-28-30(24)23-13-11-22(27)12-14-23/h5-17,25,29H,4,18H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
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	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440096 (CHEMBL2426124) Show SMILES CC(C)(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H25F4N3O/c1-26(2,17-32-24(35)15-27(29,30)31)25(18-6-4-3-5-7-18)19-8-13-23-20(14-19)16-33-34(23)22-11-9-21(28)10-12-22/h3-14,16,25H,15,17H2,1-2H3,(H,32,35)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440099 (CHEMBL2426121) Show SMILES CCS(=O)(=O)NCC(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H26FN3O2S/c1-3-32(30,31)28-16-18(2)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)17-27-29(24)23-12-10-22(26)11-13-23/h4-15,17-18,25,28H,3,16H2,1-2H3/t18?,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440216 (CHEMBL2426648) Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1cccnc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-7-4-3-5-8-17)18-10-11-21-19(13-18)14-28-31(21)20-9-6-12-26-15-20/h3-16,22H,1-2H3,(H,29,30,32)/t22-/m0/s1	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
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440100 (CHEMBL2426120) Show SMILES CC(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H24FN3O2S/c1-17(15-27-31(2,29)30)24(18-6-4-3-5-7-18)19-8-13-23-20(14-19)16-26-28(23)22-11-9-21(25)10-12-22/h3-14,16-17,24,27H,15H2,1-2H3/t17?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36613 (Rapamycin C-7, analog 6b) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)SC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO12S/c1-30-16-12-11-13-17-31(2)44(65-10)28-38-21-19-36(7)51(60,64-38)48(57)49(58)52-23-15-14-18-39(52)50(59)63-42(33(4)26-37-20-22-40(53)43(27-37)61-8)29-41(54)32(3)25-35(6)46(56)47(62-9)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43-,44+,46-,47+,51-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals					Assay Description FKBP12 assay using rapamycin analogs.				Chem Biol 2: 471-81 (1995) Article DOI: 10.1016/1074-5521(95)90264-3 BindingDB Entry DOI: 10.7270/Q2CZ35J2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36612 (Rapamycin C-7, analog 6a) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)SC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO12S/c1-30-16-12-11-13-17-31(2)44(65-10)28-38-21-19-36(7)51(60,64-38)48(57)49(58)52-23-15-14-18-39(52)50(59)63-42(33(4)26-37-20-22-40(53)43(27-37)61-8)29-41(54)32(3)25-35(6)46(56)47(62-9)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43-,44-,46-,47+,51-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals					Assay Description FKBP12 assay using rapamycin analogs.				Chem Biol 2: 471-81 (1995) Article DOI: 10.1016/1074-5521(95)90264-3 BindingDB Entry DOI: 10.7270/Q2CZ35J2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440488 (CHEMBL2426147) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1F)C(=O)Nc1nncs1 Show InChI InChI=1S/C26H21F2N5OS/c1-26(2,24(34)31-25-32-30-15-35-25)22(16-6-4-3-5-7-16)17-8-11-21-23(29-14-33(21)13-17)19-10-9-18(27)12-20(19)28/h3-15,22H,1-2H3,(H,31,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5571-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.049 BindingDB Entry DOI: 10.7270/Q2QC04Z4
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36623 (Rapamycin C-7, analog 12) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\CC[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C50H77NO12/c1-30-15-11-10-12-16-31(2)25-34(5)44(54)46(61-9)45(55)35(6)26-32(3)41(53)29-42(33(4)27-37-20-23-40(52)43(28-37)60-8)62-49(58)39-17-13-14-24-51(39)48(57)47(56)50(59)36(7)19-22-38(63-50)21-18-30/h10-12,15-16,26,31-34,36-40,42-43,45-46,52,55,59H,13-14,17-25,27-29H2,1-9H3/b11-10+,16-12+,30-15+,35-26+/t31-,32-,33-,34-,36-,37+,38-,39+,40-,42+,43-,45-,46+,50-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals					Assay Description FKBP12 assay using rapamycin analogs.				Chem Biol 2: 471-81 (1995) Article DOI: 10.1016/1074-5521(95)90264-3 BindingDB Entry DOI: 10.7270/Q2CZ35J2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303827 ((S)-1-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccccc1 |r,t:7| Show InChI InChI=1S/C26H27FN2O/c1-25-16-29-17-28-24(18-11-13-21(27)14-12-18)22(29)15-20(25)9-6-10-23(25)26(2,30)19-7-4-3-5-8-19/h3-5,7-8,11-15,17,23,30H,6,9-10,16H2,1-2H3/t23-,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36627 (Rapamycin C-7, analog 16a) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OCc2ccc(Cl)cc2)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C57H82ClNO13/c1-34-15-11-10-12-16-35(2)48(70-33-41-19-22-43(58)23-20-41)31-44-24-18-40(7)57(67,72-44)54(64)55(65)59-26-14-13-17-45(59)56(66)71-49(37(4)29-42-21-25-46(60)50(30-42)68-8)32-47(61)36(3)28-39(6)52(63)53(69-9)51(62)38(5)27-34/h10-12,15-16,19-20,22-23,28,34,36-38,40,42,44-46,48-50,52-53,60,63,67H,13-14,17-18,21,24-27,29-33H2,1-9H3/b12-10+,15-11+,35-16+,39-28+/t34-,36-,37-,38-,40-,42+,44+,45+,46-,48-,49+,50-,52-,53+,57-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals					Assay Description FKBP12 assay using rapamycin analogs.				Chem Biol 2: 471-81 (1995) Article DOI: 10.1016/1074-5521(95)90264-3 BindingDB Entry DOI: 10.7270/Q2CZ35J2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303813 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1 |r,t:7| Show InChI InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-6-8-19(25)9-7-16)20(27)12-17(23)4-3-5-21(23)24(2,28)18-10-11-29-13-18/h6-13,15,21,28H,3-5,14H2,1-2H3/t21-,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36609 (Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals					Assay Description FKBP12 assay using rapamycin analogs.				Chem Biol 2: 471-81 (1995) Article DOI: 10.1016/1074-5521(95)90264-3 BindingDB Entry DOI: 10.7270/Q2CZ35J2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303831 (3-((S)-1-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccc(c1)C#N |r,t:7| Show InChI InChI=1S/C27H26FN3O/c1-26-16-31-17-30-25(19-9-11-22(28)12-10-19)23(31)14-20(26)6-4-8-24(26)27(2,32)21-7-3-5-18(13-21)15-29/h3,5,7,9-14,17,24,32H,4,6,8,16H2,1-2H3/t24-,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440230 (CHEMBL2426639) Show SMILES CC(C)(C(Cc1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H24FN5OS/c1-27(2,25(34)31-26-32-29-17-35-26)23(14-18-6-4-3-5-7-18)19-8-13-24-20(15-19)16-30-33(24)22-11-9-21(28)10-12-22/h3-13,15-17,23H,14H2,1-2H3,(H,31,32,34)	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
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50348410 (CHEMBL1801004) Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C19H19N3O2S/c1-19(2,17(24)21-18-22-20-12-25-18)16(13-6-4-3-5-7-13)14-8-10-15(23)11-9-14/h3-12,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5571-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.049 BindingDB Entry DOI: 10.7270/Q2QC04Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440102 (CHEMBL2426117) Show SMILES CC(C)(CNS(=O)(=O)C1CC1)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H28FN3O2S/c1-27(2,18-30-34(32,33)24-13-14-24)26(19-6-4-3-5-7-19)20-8-15-25-21(16-20)17-29-31(25)23-11-9-22(28)10-12-23/h3-12,15-17,24,26,30H,13-14,18H2,1-2H3/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440101 (CHEMBL2426119) Show SMILES CC(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H23F4N3O2S/c1-17(14-31-35(33,34)16-25(27,28)29)24(18-5-3-2-4-6-18)19-7-12-23-20(13-19)15-30-32(23)22-10-8-21(26)9-11-22/h2-13,15,17,24,31H,14,16H2,1H3/t17?,24-/m0/s1	PDB 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440110 (CHEMBL2426128) Show SMILES CC(C)C[C@@H](c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)CNC(=O)CC(F)(F)F |r| Show InChI InChI=1S/C25H29F4N3O/c1-16(2)11-21(24(3,4)15-30-23(33)13-25(27,28)29)17-5-10-22-18(12-17)14-31-32(22)20-8-6-19(26)7-9-20/h5-10,12,14,16,21H,11,13,15H2,1-4H3,(H,30,33)/t21-/m0/s1	PDB 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440107 (CHEMBL2426111) Show SMILES CC(C)C[C@@H](c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)CNC(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C25H30F4N4O/c1-16(2)11-21(24(3,4)14-30-23(34)31-15-25(27,28)29)17-5-10-22-18(12-17)13-32-33(22)20-8-6-19(26)7-9-20/h5-10,12-13,16,21H,11,14-15H2,1-4H3,(H2,30,31,34)/t21-/m0/s1	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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303811 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES Cc1ccc(s1)[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14| Show InChI InChI=1S/C25H27FN2OS/c1-16-7-12-22(30-16)25(3,29)21-6-4-5-18-13-20-23(17-8-10-19(26)11-9-17)27-15-28(20)14-24(18,21)2/h7-13,15,21,29H,4-6,14H2,1-3H3/t21-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440103 (CHEMBL2426116) Show SMILES CCCS(=O)(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H30FN3O2S/c1-4-16-34(32,33)30-19-27(2,3)26(20-8-6-5-7-9-20)21-10-15-25-22(17-21)18-29-31(25)24-13-11-23(28)12-14-24/h5-15,17-18,26,30H,4,16,19H2,1-3H3/t26-/m0/s1	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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM36622 (Rapamycin C-7, analog 11b) Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccc[nH]2)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C54H80N2O12/c1-32-16-11-10-12-17-33(2)41(42-18-15-24-55-42)30-40-22-20-38(7)54(64,68-40)51(61)52(62)56-25-14-13-19-43(56)53(63)67-46(35(4)28-39-21-23-44(57)47(29-39)65-8)31-45(58)34(3)27-37(6)49(60)50(66-9)48(59)36(5)26-32/h10-12,15-18,24,27,32,34-36,38-41,43-44,46-47,49-50,55,57,60,64H,13-14,19-23,25-26,28-31H2,1-9H3/b12-10+,16-11+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43+,44-,46+,47-,49-,50+,54-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals					Assay Description FKBP12 assay using rapamycin analogs.				Chem Biol 2: 471-81 (1995) Article DOI: 10.1016/1074-5521(95)90264-3 BindingDB Entry DOI: 10.7270/Q2CZ35J2
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440233 (CHEMBL2426636) Show SMILES CCCC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C23H24FN5OS/c1-4-5-19(23(2,3)21(30)27-22-28-25-14-31-22)15-6-11-20-16(12-15)13-26-29(20)18-9-7-17(24)8-10-18/h6-14,19H,4-5H2,1-3H3,(H,27,28,30)	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
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440114 (CHEMBL2426123) Show SMILES CC(C)(CNC(=O)C(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H23F4N3O/c1-25(2,16-31-24(34)26(28,29)30)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-32-33(22)21-11-9-20(27)10-12-21/h3-15,23H,16H2,1-2H3,(H,31,34)/t23-/m0/s1	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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					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	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440112 (CHEMBL2426126) Show SMILES CC(C)(C)CC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H34FN3O/c1-29(2,3)18-27(35)32-20-30(4,5)28(21-9-7-6-8-10-21)22-11-16-26-23(17-22)19-33-34(26)25-14-12-24(31)13-15-25/h6-17,19,28H,18,20H2,1-5H3,(H,32,35)/t28-/m0/s1	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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 23: 5448-51 (2013) Article DOI: 10.1016/j.bmcl.2013.06.085 BindingDB Entry DOI: 10.7270/Q22R3T2S
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440214 (CHEMBL2426650) Show SMILES CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccncc1)C(=O)Nc1nncs1 Show InChI InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-6-4-3-5-7-17)18-8-9-21-19(14-18)15-28-31(21)20-10-12-26-13-11-20/h3-16,22H,1-2H3,(H,29,30,32)	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
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303809 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccncc1 |r,t:7| Show InChI InChI=1S/C25H26FN3O/c1-24-15-29-16-28-23(17-6-8-20(26)9-7-17)21(29)14-19(24)4-3-5-22(24)25(2,30)18-10-12-27-13-11-18/h6-14,16,22,30H,3-5,15H2,1-2H3/t22-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303808 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccnc1 |r,t:7| Show InChI InChI=1S/C25H26FN3O/c1-24-15-29-16-28-23(17-8-10-20(26)11-9-17)21(29)13-18(24)5-3-7-22(24)25(2,30)19-6-4-12-27-14-19/h4,6,8-14,16,22,30H,3,5,7,15H2,1-2H3/t22-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303830 ((S)-1-(4-Chlorophenyl)-1-((5aR,6S)-1-(4-fluorophen...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)cc1 |r,t:7| Show InChI InChI=1S/C26H26ClFN2O/c1-25-15-30-16-29-24(17-6-12-21(28)13-7-17)22(30)14-19(25)4-3-5-23(25)26(2,31)18-8-10-20(27)11-9-18/h6-14,16,23,31H,3-5,15H2,1-2H3/t23-,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303828 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES Cc1ccccc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:15| Show InChI InChI=1S/C27H29FN2O/c1-18-7-4-5-9-22(18)27(3,31)24-10-6-8-20-15-23-25(19-11-13-21(28)14-12-19)29-17-30(23)16-26(20,24)2/h4-5,7,9,11-15,17,24,31H,6,8,10,16H2,1-3H3/t24-,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair

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