BDBM50124606 5-Allyl-2,2,4-trimethyl-10-vinyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::CHEMBL267940

SMILES: CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12

InChI Key: InChIKey=CPUIRDMVUBPAPK-UHFFFAOYSA-N

Data: 3 KI  4 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 7 hits for monomerid = 50124606   

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))	BDBM50124606 (5-Allyl-2,2,4-trimethyl-10-vinyl-2,5-dihydro-1H-6-...) Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12 |t:1| Show InChI InChI=1S/C24H25NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h6-8,10-14,19,25H,1-2,9H2,3-5H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	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 human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells				J Med Chem 46: 1016-30 (2003) Article DOI: 10.1021/jm020335m BindingDB Entry DOI: 10.7270/Q2MP52NB
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50124606 (5-Allyl-2,2,4-trimethyl-10-vinyl-2,5-dihydro-1H-6-...) Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12 |t:1| Show InChI InChI=1S/C24H25NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h6-8,10-14,19,25H,1-2,9H2,3-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	239	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 testosterone receptor				J Med Chem 46: 1016-30 (2003) Article DOI: 10.1021/jm020335m BindingDB Entry DOI: 10.7270/Q2MP52NB
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50124606 (5-Allyl-2,2,4-trimethyl-10-vinyl-2,5-dihydro-1H-6-...) Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12 |t:1| Show InChI InChI=1S/C24H25NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h6-8,10-14,19,25H,1-2,9H2,3-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	435	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from human Progesterone receptor A				J Med Chem 46: 1016-30 (2003) Article DOI: 10.1021/jm020335m BindingDB Entry DOI: 10.7270/Q2MP52NB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50124606 (5-Allyl-2,2,4-trimethyl-10-vinyl-2,5-dihydro-1H-6-...) Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12 |t:1| Show InChI InChI=1S/C24H25NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h6-8,10-14,19,25H,1-2,9H2,3-5H3	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+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase DHFR in Pneumocystis carinii.				J Med Chem 46: 1016-30 (2003) Article DOI: 10.1021/jm020335m BindingDB Entry DOI: 10.7270/Q2MP52NB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50124606 (5-Allyl-2,2,4-trimethyl-10-vinyl-2,5-dihydro-1H-6-...) Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12 |t:1| Show InChI InChI=1S/C24H25NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h6-8,10-14,19,25H,1-2,9H2,3-5H3	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	17	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase DHFR in Pneumocystis carinii.				J Med Chem 46: 1016-30 (2003) Article DOI: 10.1021/jm020335m BindingDB Entry DOI: 10.7270/Q2MP52NB
					More data for this Ligand-Target Pair
Glucocorticoid (RAT)	BDBM50124606 (5-Allyl-2,2,4-trimethyl-10-vinyl-2,5-dihydro-1H-6-...) Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12 |t:1| Show InChI InChI=1S/C24H25NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h6-8,10-14,19,25H,1-2,9H2,3-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of conconavalin A stimulated rat splenocyte proliferation				J Med Chem 46: 1016-30 (2003) Article DOI: 10.1021/jm020335m BindingDB Entry DOI: 10.7270/Q2MP52NB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50124606 (5-Allyl-2,2,4-trimethyl-10-vinyl-2,5-dihydro-1H-6-...) Show SMILES CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12 |t:1| Show InChI InChI=1S/C24H25NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h6-8,10-14,19,25H,1-2,9H2,3-5H3	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	12	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase DHFR in Pneumocystis carinii.				J Med Chem 46: 1016-30 (2003) Article DOI: 10.1021/jm020335m BindingDB Entry DOI: 10.7270/Q2MP52NB
					More data for this Ligand-Target Pair