Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50048332'   

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))	BDBM50048332 (CHEMBL3315054 | US9593113, Example 7) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CC1 |r| Show InChI InChI=1S/C31H30FN3O5/c1-31(2,30(38)34-27(36)19-8-9-19)25-21-4-3-5-23(32)26(21)40-28-22(25)12-13-24(33-28)18-6-10-20(11-7-18)29(37)35-14-16-39-17-15-35/h3-7,10-13,19,25H,8-9,14-17H2,1-2H3,(H,34,36,38)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	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))	BDBM50048332 (CHEMBL3315054 | US9593113, Example 7) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CC1 |r| Show InChI InChI=1S/C31H30FN3O5/c1-31(2,30(38)34-27(36)19-8-9-19)25-21-4-3-5-23(32)26(21)40-28-22(25)12-13-24(33-28)18-6-10-20(11-7-18)29(37)35-14-16-39-17-15-35/h3-7,10-13,19,25H,8-9,14-17H2,1-2H3,(H,34,36,38)/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	8.53	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))	BDBM50048332 (CHEMBL3315054 | US9593113, Example 7) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CC1 |r| Show InChI InChI=1S/C31H30FN3O5/c1-31(2,30(38)34-27(36)19-8-9-19)25-21-4-3-5-23(32)26(21)40-28-22(25)12-13-24(33-28)18-6-10-20(11-7-18)29(37)35-14-16-39-17-15-35/h3-7,10-13,19,25H,8-9,14-17H2,1-2H3,(H,34,36,38)/t25-/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	n/a	n/a	418	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human whole blood assessed as inhibition of LPS-induced TNF production incubated for 20 hrs prior to L...				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))	BDBM50048332 (CHEMBL3315054 | US9593113, Example 7) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CC1 |r| Show InChI InChI=1S/C31H30FN3O5/c1-31(2,30(38)34-27(36)19-8-9-19)25-21-4-3-5-23(32)26(21)40-28-22(25)12-13-24(33-28)18-6-10-20(11-7-18)29(37)35-14-16-39-17-15-35/h3-7,10-13,19,25H,8-9,14-17H2,1-2H3,(H,34,36,38)/t25-/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	n/a	n/a	177	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human HeLa cells assessed as NP-1 transactivation by luciferase reporter gene 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))	BDBM50048332 (CHEMBL3315054 | US9593113, Example 7) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CC1 |r| Show InChI InChI=1S/C31H30FN3O5/c1-31(2,30(38)34-27(36)19-8-9-19)25-21-4-3-5-23(32)26(21)40-28-22(25)12-13-24(33-28)18-6-10-20(11-7-18)29(37)35-14-16-39-17-15-35/h3-7,10-13,19,25H,8-9,14-17H2,1-2H3,(H,34,36,38)/t25-/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	n/a	n/a	18	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells assessed as AP-1 transrepression by luciferase reporter gene 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))	BDBM50048332 (CHEMBL3315054 | US9593113, Example 7) Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CC1 |r| Show InChI InChI=1S/C31H30FN3O5/c1-31(2,30(38)34-27(36)19-8-9-19)25-21-4-3-5-23(32)26(21)40-28-22(25)12-13-24(33-28)18-6-10-20(11-7-18)29(37)35-14-16-39-17-15-35/h3-7,10-13,19,25H,8-9,14-17H2,1-2H3,(H,34,36,38)/t25-/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	n/a	n/a	18	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells assessed as E-selectin transrepression by luciferase reporter gene 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