BDBM50440213 CHEMBL2426652

SMILES: COc1ccc(cc1)-n1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1

InChI Key: InChIKey=BGOUNSHKRYHRQD-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50440213   

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))	BDBM50440213 (CHEMBL2426652) Show SMILES COc1ccc(cc1)-n1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H25N5O2S/c1-27(2,25(33)30-26-31-28-17-35-26)24(18-7-5-4-6-8-18)19-9-14-23-20(15-19)16-29-32(23)21-10-12-22(34-3)13-11-21/h4-17,24H,1-3H3,(H,30,31,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440213 (CHEMBL2426652) Show SMILES COc1ccc(cc1)-n1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H25N5O2S/c1-27(2,25(33)30-26-31-28-17-35-26)24(18-7-5-4-6-8-18)19-9-14-23-20(15-19)16-29-32(23)21-10-12-22(34-3)13-11-21/h4-17,24H,1-3H3,(H,30,31,33)	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
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Transactivation of glucocorticoid receptor ligand binding domain (unknown origin) transfected in human HeLa cells assessed as activation of NP-1 by G...				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440213 (CHEMBL2426652) Show SMILES COc1ccc(cc1)-n1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H25N5O2S/c1-27(2,25(33)30-26-31-28-17-35-26)24(18-7-5-4-6-8-18)19-9-14-23-20(15-19)16-29-32(23)21-10-12-22(34-3)13-11-21/h4-17,24H,1-3H3,(H,30,31,33)	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	143	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of IL-1beta-induced NF-kappaB dependent E-selectin activation ...				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50440213 (CHEMBL2426652) Show SMILES COc1ccc(cc1)-n1ncc2cc(ccc12)C(c1ccccc1)C(C)(C)C(=O)Nc1nncs1 Show InChI InChI=1S/C27H25N5O2S/c1-27(2,25(33)30-26-31-28-17-35-26)24(18-7-5-4-6-8-18)19-9-14-23-20(15-19)16-29-32(23)21-10-12-22(34-3)13-11-21/h4-17,24H,1-3H3,(H,30,31,33)	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	56	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-induced AP-1 activation by luciferase reporter gene ass...				Bioorg Med Chem Lett 23: 5442-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.089 BindingDB Entry DOI: 10.7270/Q29888FB
					More data for this Ligand-Target Pair