Compile Data Set for Download or QSAR

Found 8600 hits with Last Name = 'xia' and Initial = 'z'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299269 (US9593113, Example 34) Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C26H26FN3O4/c1-14(2)33-16-10-8-15(9-11-16)20-13-12-18-21(26(3,4)24(31)30-25(28)32)17-6-5-7-19(27)22(17)34-23(18)29-20/h5-14,21H,1-4H3,(H3,28,30,31,32)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299305 (US9593113, Example 69) Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C26H26FN3O4/c1-25(2,23(31)30-24(28)32)20-16-6-5-7-18(27)21(16)34-22-17(20)12-13-19(29-22)14-8-10-15(11-9-14)26(3,4)33/h5-13,20,33H,1-4H3,(H3,28,30,31,32)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299270 (US9593113, Example 35 | US9593113, Example 47) Show SMILES CC(C)Oc1ccc(cc1F)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C26H25F2N3O4/c1-13(2)34-20-11-8-14(12-18(20)28)19-10-9-16-21(26(3,4)24(32)31-25(29)33)15-6-5-7-17(27)22(15)35-23(16)30-19/h5-13,21H,1-4H3,(H3,29,31,32,33)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299266 (US9593113, Example 31) Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C25H24FN3O5S/c1-4-35(32,33)15-10-8-14(9-11-15)19-13-12-17-20(25(2,3)23(30)29-24(27)31)16-6-5-7-18(26)21(16)34-22(17)28-19/h5-13,20H,4H2,1-3H3,(H3,27,29,30,31)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299293 (US9593113, Example 57 | US9593113, Example 65) Show SMILES CC(C)Oc1ccc(cn1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C25H26N4O4/c1-14(2)32-20-12-9-15(13-27-20)18-11-10-17-21(25(3,4)23(30)29-24(26)31)16-7-5-6-8-19(16)33-22(17)28-18/h5-14,21H,1-4H3,(H3,26,29,30,31)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DVanderbilt Program in Drug Discovery Curated by ChEMBL					Assay Description Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting				Nat Chem Biol 4: 42-50 (2007) Article DOI: 10.1038/nchembio.2007.55 BindingDB Entry DOI: 10.7270/Q2D50N55
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DVanderbilt Program in Drug Discovery Curated by ChEMBL					Assay Description Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting				Nat Chem Biol 4: 42-50 (2007) Article DOI: 10.1038/nchembio.2007.55 BindingDB Entry DOI: 10.7270/Q2D50N55
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299318 (US9593113, Example 82) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C26H27N3O5S/c1-15(2)35(32,33)17-11-9-16(10-12-17)20-14-13-19-22(26(3,4)24(30)29-25(27)31)18-7-5-6-8-21(18)34-23(19)28-20/h5-15,22H,1-4H3,(H3,27,29,30,31)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299268 (US9593113, Example 33) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)S(C)(=O)=O)C(=O)NC(N)=O |r| Show InChI InChI=1S/C24H22FN3O5S/c1-24(2,22(29)28-23(26)30)19-15-5-4-6-17(25)20(15)33-21-16(19)11-12-18(27-21)13-7-9-14(10-8-13)34(3,31)32/h4-12,19H,1-3H3,(H3,26,28,29,30)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50601872 (CHEMBL5174733) Show SMILES [11CH3]Oc1ccc2c(NC(=O)Nc3cccc(c3)C(F)(F)F)ccnc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299304 (US9593113, Example 68) Show SMILES COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(nc3Oc3c(F)cccc23)-c2ccc(OC(C)C)nc2)cc1 |r| Show InChI InChI=1S/C33H33FN4O5/c1-19(2)42-27-16-11-21(18-35-27)26-15-14-24-28(23-7-6-8-25(34)29(23)43-30(24)37-26)33(3,4)31(39)38-32(40)36-17-20-9-12-22(41-5)13-10-20/h6-16,18-19,28H,17H2,1-5H3,(H2,36,38,39,40)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM351897 ((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...) Show SMILES CCOc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...				US Patent US9796720 (2017) BindingDB Entry DOI: 10.7270/Q2H41TJ4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM351895 ((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...) Show SMILES CC(C)Oc1ccc(cc1F)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...				US Patent US9796720 (2017) BindingDB Entry DOI: 10.7270/Q2H41TJ4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072352 (CHEMBL3409318) Show SMILES CCOCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15| Show InChI InChI=1S/C25H32N2O4/c1-3-31-8-7-27-15-20(23(28)19-5-4-6-21(30-2)22(19)27)24(29)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h4-6,15-18H,3,7-14H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01571 BindingDB Entry DOI: 10.7270/Q25H7MBX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048342 (CHEMBL3315064 | US9593113, Example 30) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C28H27FN4O4/c1-28(2,26(35)32-27(30)36)22-18-6-5-7-20(29)23(18)37-24-19(22)12-13-21(31-24)16-8-10-17(11-9-16)25(34)33-14-3-4-15-33/h5-13,22H,3-4,14-15H2,1-2H3,(H3,30,32,35,36)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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 polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048348 (CHEMBL3315070) Show SMILES CC(C)Oc1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C25H25FN4O4/c1-13(2)33-19-11-8-14(12-28-19)18-10-9-16-20(25(3,4)23(31)30-24(27)32)15-6-5-7-17(26)21(15)34-22(16)29-18/h5-13,20H,1-4H3,(H3,27,30,31,32)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	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 polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048342 (CHEMBL3315064 | US9593113, Example 30) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C28H27FN4O4/c1-28(2,26(35)32-27(30)36)22-18-6-5-7-20(29)23(18)37-24-19(22)12-13-21(31-24)16-8-10-17(11-9-16)25(34)33-14-3-4-15-33/h5-13,22H,3-4,14-15H2,1-2H3,(H3,30,32,35,36)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM351893 ((S)-2-(9-Fluoro-2-(4-(1-methyl-1H-tetrazol-5-yl)ph...) Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...				US Patent US9796720 (2017) BindingDB Entry DOI: 10.7270/Q2H41TJ4
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50089414 (CHEMBL3577996) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C49H64N12O8/c1-30-41(62)58-37(28-33-18-9-4-10-19-33)47(68)61-25-13-22-40(61)48(69)60-24-12-21-39(60)46(67)55-34(20-11-23-53-49(51)52)42(63)56-35(26-31-14-5-2-6-15-31)43(64)57-36(27-32-16-7-3-8-17-32)44(65)59-38(29-50)45(66)54-30/h2-10,14-19,30,34-40H,11-13,20-29,50H2,1H3,(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,58,62)(H,59,65)(H4,51,52,53)/t30-,34-,35-,36-,37-,38?,39-,40+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of MTII from mouse MC4R expressed in HEK293 cells				J Med Chem 58: 4638-47 (2015) Article DOI: 10.1021/acs.jmedchem.5b00184 BindingDB Entry DOI: 10.7270/Q2T155C9
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299271 (US9593113, Example 36) Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C26H27N3O4/c1-15(2)32-17-11-9-16(10-12-17)20-14-13-19-22(26(3,4)24(30)29-25(27)31)18-7-5-6-8-21(18)33-23(19)28-20/h5-15,22H,1-4H3,(H3,27,29,30,31)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM351896 ((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...) Show SMILES CC(C)(C)Oc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...				US Patent US9796720 (2017) BindingDB Entry DOI: 10.7270/Q2H41TJ4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299281 (US9593113, Example 45) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)-n1cnnn1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C24H20FN7O3/c1-24(2,22(33)29-23(26)34)19-15-4-3-5-17(25)20(15)35-21-16(19)10-11-18(28-21)13-6-8-14(9-7-13)32-12-27-30-31-32/h3-12,19H,1-2H3,(H3,26,29,33,34)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299270 (US9593113, Example 35 | US9593113, Example 47) Show SMILES CC(C)Oc1ccc(cc1F)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C26H25F2N3O4/c1-13(2)34-20-11-8-14(12-18(20)28)19-10-9-16-21(26(3,4)24(32)31-25(29)33)15-6-5-7-17(27)22(15)35-23(16)30-19/h5-13,21H,1-4H3,(H3,29,31,32,33)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (RAT)	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG 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
DVanderbilt Program in Drug Discovery Curated by ChEMBL					Assay Description Displacement of [3H]NMS from rat recombinant muscarinic M5 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting				Nat Chem Biol 4: 42-50 (2007) Article DOI: 10.1038/nchembio.2007.55 BindingDB Entry DOI: 10.7270/Q2D50N55
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299279 (US9593113, Example 43) Show SMILES CCCCc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C27H28FN3O3/c1-4-5-7-16-10-12-17(13-11-16)21-15-14-19-22(27(2,3)25(32)31-26(29)33)18-8-6-9-20(28)23(18)34-24(19)30-21/h6,8-15,22H,4-5,7H2,1-3H3,(H3,29,31,32,33)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299278 (US9593113, Example 42) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)-c1ccccc1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C29H24FN3O3/c1-29(2,27(34)33-28(31)35)24-20-9-6-10-22(30)25(20)36-26-21(24)15-16-23(32-26)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-16,24H,1-2H3,(H3,31,33,34,35)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299320 (US9593113, Example 84) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C27H25FN4O4/c1-27(2,25(34)31-26(29)35)21-17-5-3-6-19(28)22(17)36-23-18(21)11-12-20(30-23)15-7-9-16(10-8-15)24(33)32-13-4-14-32/h3,5-12,21H,4,13-14H2,1-2H3,(H3,29,31,34,35)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299275 (US9593113, Example 39) Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C25H25N3O5S/c1-4-34(31,32)16-11-9-15(10-12-16)19-14-13-18-21(25(2,3)23(29)28-24(26)30)17-7-5-6-8-20(17)33-22(18)27-19/h5-14,21H,4H2,1-3H3,(H3,26,28,29,30)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299285 (US9593113, Example 49) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCC(F)(F)C2)c(F)c1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,25(37)34-26(32)38)22-17-5-3-4-6-21(17)39-23-18(22)9-10-20(33-23)15-7-8-16(19(29)13-15)24(36)35-12-11-28(30,31)14-35/h3-10,13,22H,11-12,14H2,1-2H3,(H3,32,34,37,38)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299319 (Step 1 | US9593113, Example 83) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C28H28FN3O3/c1-28(2,27(30)34)23-19-7-6-8-21(29)24(19)35-25-20(23)13-14-22(31-25)17-9-11-18(12-10-17)26(33)32-15-4-3-5-16-32/h6-14,23H,3-5,15-16H2,1-2H3,(H2,30,34)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299277 (US9593113, Example 41) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)N1CCOCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C26H26FN5O4/c1-26(2,24(33)31-25(28)34)21-16-4-3-5-18(27)22(16)36-23-17(21)7-8-19(30-23)15-6-9-20(29-14-15)32-10-12-35-13-11-32/h3-9,14,21H,10-13H2,1-2H3,(H3,28,31,33,34)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299296 (US9593113, Example 60) Show SMILES CC(C)Nc1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C25H26FN5O3/c1-13(2)29-19-11-8-14(12-28-19)18-10-9-16-20(25(3,4)23(32)31-24(27)33)15-6-5-7-17(26)21(15)34-22(16)30-18/h5-13,20H,1-4H3,(H,28,29)(H3,27,31,32,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299298 (US9593113, Example 62) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(NC2CC2)nc1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C25H24FN5O3/c1-25(2,23(32)31-24(27)33)20-15-4-3-5-17(26)21(15)34-22-16(20)9-10-18(30-22)13-6-11-19(28-12-13)29-14-7-8-14/h3-6,9-12,14,20H,7-8H2,1-2H3,(H,28,29)(H3,27,31,32,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299306 (US9593113, Example 70) Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C26H27N3O4/c1-25(2,23(30)29-24(27)31)21-17-7-5-6-8-20(17)33-22-18(21)13-14-19(28-22)15-9-11-16(12-10-15)26(3,4)32/h5-14,21,32H,1-4H3,(H3,27,29,30,31)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299321 (US9593113, Example 85) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CC[C@@H](F)C1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C28H26F2N4O4/c1-28(2,26(36)33-27(31)37)22-18-4-3-5-20(30)23(18)38-24-19(22)10-11-21(32-24)15-6-8-16(9-7-15)25(35)34-13-12-17(29)14-34/h3-11,17,22H,12-14H2,1-2H3,(H3,31,33,36,37)/t17-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					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 polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048344 (CHEMBL3315066) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CC[C@H](F)C1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C28H26F2N4O4/c1-28(2,26(36)33-27(31)37)22-18-4-3-5-20(30)23(18)38-24-19(22)10-11-21(32-24)15-6-8-16(9-7-15)25(35)34-13-12-17(29)14-34/h3-11,17,22H,12-14H2,1-2H3,(H3,31,33,36,37)/t17-,22-/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 polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299287 (US9593113, Example 51) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C28H27FN4O4/c1-28(2,26(35)32-27(30)36)23-18-7-3-4-8-22(18)37-24-19(23)11-12-21(31-24)16-9-10-17(20(29)15-16)25(34)33-13-5-6-14-33/h3-4,7-12,15,23H,5-6,13-14H2,1-2H3,(H3,30,32,35,36)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM351905 ((S)-5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-y...) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccccc1)c1nc2nccnc2[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...				US Patent US9796720 (2017) BindingDB Entry DOI: 10.7270/Q2H41TJ4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM351892 (4-(1-Methyl-1H-tetrazol-5-yl)phenylboronic acid | ...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)c1nc2nccnc2[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor...				US Patent US9796720 (2017) BindingDB Entry DOI: 10.7270/Q2H41TJ4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299255 (US9593113, Example 21) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C34H31FN4O5/c1-34(2,32(41)38-33(42)36-23-7-4-3-5-8-23)28-24-9-6-10-26(35)29(24)44-30-25(28)15-16-27(37-30)21-11-13-22(14-12-21)31(40)39-17-19-43-20-18-39/h3-16,28H,17-20H2,1-2H3,(H2,36,38,41,42)/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299249 (US9593113, Example 15) Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(C)(C)O |r| Show InChI InChI=1S/C27H28FN3O4/c1-26(2,24(32)31-25(33)29-5)21-17-7-6-8-19(28)22(17)35-23-18(21)13-14-20(30-23)15-9-11-16(12-10-15)27(3,4)34/h6-14,21,34H,1-5H3,(H2,29,31,32,33)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048341 (CHEMBL3315063 | US9593113, Example 28) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C28H28N4O5/c1-28(2,26(34)31-27(29)35)23-19-5-3-4-6-22(19)37-24-20(23)11-12-21(30-24)17-7-9-18(10-8-17)25(33)32-13-15-36-16-14-32/h3-12,23H,13-16H2,1-2H3,(H3,29,31,34,35)/t23-/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 polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299303 (US9593113, Example 67) Show SMILES Cc1nnn(n1)-c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O |r| Show InChI InChI=1S/C25H23N7O3/c1-14-29-31-32(30-14)16-10-8-15(9-11-16)19-13-12-18-21(25(2,3)23(33)28-24(26)34)17-6-4-5-7-20(17)35-22(18)27-19/h4-13,21H,1-3H3,(H3,26,28,33,34)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048340 (CHEMBL3315062) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C29H26FN5O4S/c1-29(2,27(37)33-28-34-31-16-40-28)23-19-4-3-5-21(30)24(19)39-25-20(23)10-11-22(32-25)17-6-8-18(9-7-17)26(36)35-12-14-38-15-13-35/h3-11,16,23H,12-15H2,1-2H3,(H,33,34,37)/t23-/m0/s1	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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50048327 (CHEMBL3315049) Show SMILES CCN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r| Show InChI InChI=1S/C28H27N5O3S/c1-5-33(4)25(34)18-12-10-17(11-13-18)21-15-14-20-23(19-8-6-7-9-22(19)36-24(20)30-21)28(2,3)26(35)31-27-32-29-16-37-27/h6-16,23H,5H2,1-4H3,(H,31,32,35)/t23-/m0/s1	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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 3268-73 (2014) Article DOI: 10.1016/j.bmcl.2014.06.010 BindingDB Entry DOI: 10.7270/Q21N82SN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299250 (US9593113, Example 16) Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(OC(C)C)cc1 |r| Show InChI InChI=1S/C27H28FN3O4/c1-15(2)34-17-11-9-16(10-12-17)21-14-13-19-22(27(3,4)25(32)31-26(33)29-5)18-7-6-8-20(28)23(18)35-24(19)30-21/h6-15,22H,1-5H3,(H2,29,31,32,33)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299295 (US9593113, Example 59) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(nc1)N1CCOCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C26H27N5O4/c1-26(2,24(32)30-25(27)33)22-17-5-3-4-6-20(17)35-23-18(22)8-9-19(29-23)16-7-10-21(28-15-16)31-11-13-34-14-12-31/h3-10,15,22H,11-14H2,1-2H3,(H3,27,30,32,33)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299300 (US9593113, Example 64) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)N1CCCCC1)C(=O)NC(N)=O |r| Show InChI InChI=1S/C27H28FN5O3/c1-27(2,25(34)32-26(29)35)22-17-7-6-8-19(28)23(17)36-24-18(22)10-11-20(31-24)16-9-12-21(30-15-16)33-13-4-3-5-14-33/h6-12,15,22H,3-5,13-14H2,1-2H3,(H3,29,32,34,35)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM299317 (US9593113, Example 81) Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)-n1cnnn1)C(=O)NN |r| Show InChI InChI=1S/C23H21N7O2/c1-23(2,22(31)27-24)20-16-5-3-4-6-19(16)32-21-17(20)11-12-18(26-21)14-7-9-15(10-8-14)30-13-25-28-29-30/h3-13,20H,24H2,1-2H3,(H,27,31)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...				US Patent US9593113 (2017) BindingDB Entry DOI: 10.7270/Q2833V3Z
					More data for this Ligand-Target Pair

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