BDBM50440487 CHEMBL2426137

SMILES: CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1

InChI Key: InChIKey=ZBGCAQUDICMIKZ-UHFFFAOYSA-N

Data: 3 KI  6 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50440487   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440487 (CHEMBL2426137) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440487 (CHEMBL2426137) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440487 (CHEMBL2426137) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440487 (CHEMBL2426137) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-induced AP-1 activity by luciferase reporter gene 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440487 (CHEMBL2426137) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-induced AP-1 activity by luciferase reporter gene 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440487 (CHEMBL2426137) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transactivation of GR-LBD expressed in human HeLa cells co-expressing GAL4-DBD by luciferase reporter gene 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440487 (CHEMBL2426137) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	103	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transactivation of GR-LBD expressed in human HeLa cells co-expressing GAL4-DBD by luciferase reporter gene 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440487 (CHEMBL2426137) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transactivation of GR-LBD expressed in human HeLa cells co-expressing GAL4-DBD by luciferase reporter gene 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440487 (CHEMBL2426137) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 Show InChI InChI=1S/C27H23FN4OS/c1-27(2,25(33)31-26-29-14-15-34-26)23(18-6-4-3-5-7-18)20-10-13-22-24(30-17-32(22)16-20)19-8-11-21(28)12-9-19/h3-17,23H,1-2H3,(H,29,31,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transrepression of glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-induced AP-1 activity by luciferase reporter gene 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