BDBM50072704 5-Butyl-9-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::CHEMBL112987

SMILES: CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12

InChI Key: InChIKey=KJSHBZLXBZYVMR-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 = 50072704   

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))	BDBM50072704 (5-Butyl-9-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-...) Show SMILES CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22| Show InChI InChI=1S/C23H26ClNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h8-13,20,25H,5-7H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.870	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))	BDBM50072704 (5-Butyl-9-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-...) Show SMILES CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22| Show InChI InChI=1S/C23H26ClNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h8-13,20,25H,5-7H2,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	394	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))	BDBM50072704 (5-Butyl-9-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-...) Show SMILES CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22| Show InChI InChI=1S/C23H26ClNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h8-13,20,25H,5-7H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	886	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))	BDBM50072704 (5-Butyl-9-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-...) Show SMILES CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22| Show InChI InChI=1S/C23H26ClNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h8-13,20,25H,5-7H2,1-4H3	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	>1.00E+4	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))	BDBM50072704 (5-Butyl-9-chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-...) Show SMILES CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22| Show InChI InChI=1S/C23H26ClNO/c1-5-6-7-20-22-16(17-12-15(24)8-11-19(17)26-20)9-10-18-21(22)14(2)13-23(3,4)25-18/h8-13,20,25H,5-7H2,1-4H3	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	6.80	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