BDBM50072707 5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::CHEMBL8639

SMILES: CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12

InChI Key: InChIKey=BQFHIOXHOTZDCT-UHFFFAOYSA-N

Data: 6 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 10 hits for monomerid = 50072707   

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
Progesterone receptor (Homo sapiens (Human))	BDBM50072707 (5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1| Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay				Bioorg Med Chem Lett 8: 3365-70 (1999) BindingDB Entry DOI: 10.7270/Q2BC402X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50072707 (5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1| Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	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
Progesterone receptor (Homo sapiens (Human))	BDBM50072707 (5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1| Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	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))	BDBM50072707 (5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1| Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	889	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of Dexamethasone from human glucocorticoid receptor				Bioorg Med Chem Lett 8: 3365-70 (1999) BindingDB Entry DOI: 10.7270/Q2BC402X
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50072707 (5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1| Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of DHT from human androgen receptor				Bioorg Med Chem Lett 8: 3365-70 (1999) BindingDB Entry DOI: 10.7270/Q2BC402X
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50072707 (5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1| Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50072707 (5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1| Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>300	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards aldosterone receptor (Mineralocorticoid 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))	BDBM50072707 (5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1| Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	561	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%)				Bioorg Med Chem Lett 8: 3365-70 (1999) BindingDB Entry DOI: 10.7270/Q2BC402X
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50072707 (5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1| Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)				Bioorg Med Chem Lett 8: 3365-70 (1999) BindingDB Entry DOI: 10.7270/Q2BC402X
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50072707 (5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1| Show InChI InChI=1S/C22H23NO/c1-5-8-19-21-16(15-9-6-7-10-18(15)24-19)11-12-17-20(21)14(2)13-22(3,4)23-17/h5-7,9-13,19,23H,1,8H2,2-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards aldosterone receptor (Mineralocorticoid 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