Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50457404'   

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))	BDBM50457404 (CHEMBL4217597) Show SMILES C[C@H](O)[C@H](NC(=O)c1nnc(C)o1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C27H22F3N5O4/c1-14(36)24(32-26(37)27-34-33-15(2)38-27)25(16-9-19(29)12-20(30)10-16)39-22-7-8-23-17(11-22)13-31-35(23)21-5-3-18(28)4-6-21/h3-14,24-25,36H,1-2H3,(H,32,37)/t14-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene e...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457404 (CHEMBL4217597) Show SMILES C[C@H](O)[C@H](NC(=O)c1nnc(C)o1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C27H22F3N5O4/c1-14(36)24(32-26(37)27-34-33-15(2)38-27)25(16-9-19(29)12-20(30)10-16)39-22-7-8-23-17(11-22)13-31-35(23)21-5-3-18(28)4-6-21/h3-14,24-25,36H,1-2H3,(H,32,37)/t14-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457404 (CHEMBL4217597) Show SMILES C[C@H](O)[C@H](NC(=O)c1nnc(C)o1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C27H22F3N5O4/c1-14(36)24(32-26(37)27-34-33-15(2)38-27)25(16-9-19(29)12-20(30)10-16)39-22-7-8-23-17(11-22)13-31-35(23)21-5-3-18(28)4-6-21/h3-14,24-25,36H,1-2H3,(H,32,37)/t14-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transrepression of GR in human whole blood assessed as inhibition of LPS-induced TNF-alpha release preincubated for 45 mins followed by LPS addition ...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457404 (CHEMBL4217597) Show SMILES C[C@H](O)[C@H](NC(=O)c1nnc(C)o1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C27H22F3N5O4/c1-14(36)24(32-26(37)27-34-33-15(2)38-27)25(16-9-19(29)12-20(30)10-16)39-22-7-8-23-17(11-22)13-31-35(23)21-5-3-18(28)4-6-21/h3-14,24-25,36H,1-2H3,(H,32,37)/t14-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of dexamethasone induced tran...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50457404 (CHEMBL4217597) Show SMILES C[C@H](O)[C@H](NC(=O)c1nnc(C)o1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C27H22F3N5O4/c1-14(36)24(32-26(37)27-34-33-15(2)38-27)25(16-9-19(29)12-20(30)10-16)39-22-7-8-23-17(11-22)13-31-35(23)21-5-3-18(28)4-6-21/h3-14,24-25,36H,1-2H3,(H,32,37)/t14-,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Transactivation activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells incubated for 24 hrs by beta-galactosidase repo...				J Med Chem 61: 1785-1799 (2018) Article DOI: 10.1021/acs.jmedchem.7b01690 BindingDB Entry DOI: 10.7270/Q2XK8J5R
					More data for this Ligand-Target Pair