BDBM50072714 5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::CHEMBL325221

SMILES: CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12

InChI Key: InChIKey=ACXANRVNFDEJLV-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 50072714   

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))	BDBM50072714 (5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21| Show InChI InChI=1S/C23H27NO/c1-5-6-10-20-22-17(16-9-7-8-11-19(16)25-20)12-13-18-21(22)15(2)14-23(3,4)24-18/h7-9,11-14,20,24H,5-6,10H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.950	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))	BDBM50072714 (5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21| Show InChI InChI=1S/C23H27NO/c1-5-6-10-20-22-17(16-9-7-8-11-19(16)25-20)12-13-18-21(22)15(2)14-23(3,4)24-18/h7-9,11-14,20,24H,5-6,10H2,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	813	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))	BDBM50072714 (5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21| Show InChI InChI=1S/C23H27NO/c1-5-6-10-20-22-17(16-9-7-8-11-19(16)25-20)12-13-18-21(22)15(2)14-23(3,4)24-18/h7-9,11-14,20,24H,5-6,10H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.05E+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
Progesterone receptor (Homo sapiens (Human))	BDBM50072714 (5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21| Show InChI InChI=1S/C23H27NO/c1-5-6-10-20-22-17(16-9-7-8-11-19(16)25-20)12-13-18-21(22)15(2)14-23(3,4)24-18/h7-9,11-14,20,24H,5-6,10H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	997	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))	BDBM50072714 (5-Butyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza...) Show SMILES CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21| Show InChI InChI=1S/C23H27NO/c1-5-6-10-20-22-17(16-9-7-8-11-19(16)25-20)12-13-18-21(22)15(2)14-23(3,4)24-18/h7-9,11-14,20,24H,5-6,10H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	11	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