BDBM50440499 CHEMBL2426142

SMILES: CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(c1)C#N)C(=O)Nc1nncs1

InChI Key: InChIKey=AHBILQJMYIFOKN-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50440499   

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))	BDBM50440499 (CHEMBL2426142) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(c1)C#N)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H22N6OS/c1-27(2,25(34)31-26-32-30-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(29-16-33(22)15-21)20-10-6-7-18(13-20)14-28/h3-13,15-17,23H,1-2H3,(H,31,32,34)	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))	BDBM50440499 (CHEMBL2426142) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(c1)C#N)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H22N6OS/c1-27(2,25(34)31-26-32-30-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(29-16-33(22)15-21)20-10-6-7-18(13-20)14-28/h3-13,15-17,23H,1-2H3,(H,31,32,34)	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))	BDBM50440499 (CHEMBL2426142) Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(c1)C#N)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H22N6OS/c1-27(2,25(34)31-26-32-30-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(29-16-33(22)15-21)20-10-6-7-18(13-20)14-28/h3-13,15-17,23H,1-2H3,(H,31,32,34)	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	1.35E+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