BDBM50107344 5-Isobutyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::CHEMBL137982

SMILES: COc1cccc2OC(CC(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12

InChI Key: InChIKey=LUJGLEQFDNFEOE-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50107344   

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))	BDBM50107344 (5-Isobutyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...) Show SMILES COc1cccc2OC(CC(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22| Show InChI InChI=1S/C24H29NO2/c1-14(2)12-20-23-16(22-18(26-6)8-7-9-19(22)27-20)10-11-17-21(23)15(3)13-24(4,5)25-17/h7-11,13-14,20,25H,12H2,1-6H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]-Dexamethasone				J Med Chem 44: 4481-91 (2001) BindingDB Entry DOI: 10.7270/Q2CZ36F4
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50107344 (5-Isobutyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...) Show SMILES COc1cccc2OC(CC(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22| Show InChI InChI=1S/C24H29NO2/c1-14(2)12-20-23-16(22-18(26-6)8-7-9-19(22)27-20)10-11-17-21(23)15(3)13-24(4,5)25-17/h7-11,13-14,20,25H,12H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards progesterone receptor (PR) by displacing [3H]-progesterone.				J Med Chem 44: 4481-91 (2001) BindingDB Entry DOI: 10.7270/Q2CZ36F4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50107344 (5-Isobutyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...) Show SMILES COc1cccc2OC(CC(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22| Show InChI InChI=1S/C24H29NO2/c1-14(2)12-20-23-16(22-18(26-6)8-7-9-19(22)27-20)10-11-17-21(23)15(3)13-24(4,5)25-17/h7-11,13-14,20,25H,12H2,1-6H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Effective concentration in HepG2 cells transfected with LUC gene (E-sel-Luc).				J Med Chem 44: 4481-91 (2001) BindingDB Entry DOI: 10.7270/Q2CZ36F4
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50107344 (5-Isobutyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-...) Show SMILES COc1cccc2OC(CC(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22| Show InChI InChI=1S/C24H29NO2/c1-14(2)12-20-23-16(22-18(26-6)8-7-9-19(22)27-20)10-11-17-21(23)15(3)13-24(4,5)25-17/h7-11,13-14,20,25H,12H2,1-6H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	223	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description The effective concentration in CV-1 cells for glucocorticoid response element activation (GRE).				J Med Chem 44: 4481-91 (2001) BindingDB Entry DOI: 10.7270/Q2CZ36F4
					More data for this Ligand-Target Pair