BDBM50067670 5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene::CHEMBL32812

SMILES: CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12

InChI Key: InChIKey=OVIZCQBEPZRBDB-UCQKPKSFSA-N

Data: 4 KI  3 IC50  3 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 = 50067670   

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))	BDBM50067670 (5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-tri...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-12-11-20-19-9-4-5-10-22(19)29-23(25(20)24(16)21)14-17-7-6-8-18(27)13-17/h4-15,28H,1-3H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	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 against human progesterone receptor				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50067670 (5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-tri...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-12-11-20-19-9-4-5-10-22(19)29-23(25(20)24(16)21)14-17-7-6-8-18(27)13-17/h4-15,28H,1-3H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against baculovirus expressed Progesterone receptor				J Med Chem 42: 1466-72 (1999) Article DOI: 10.1021/jm980723h BindingDB Entry DOI: 10.7270/Q2NK3FQ9
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50067670 (5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-tri...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-12-11-20-19-9-4-5-10-22(19)29-23(25(20)24(16)21)14-17-7-6-8-18(27)13-17/h4-15,28H,1-3H3/b23-14-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	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 against human glucocorticoid receptor expressed in SF-12 cells				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50067670 (5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-tri...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-12-11-20-19-9-4-5-10-22(19)29-23(25(20)24(16)21)14-17-7-6-8-18(27)13-17/h4-15,28H,1-3H3/b23-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	798	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 against human androgen receptor				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50067670 (5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-tri...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-12-11-20-19-9-4-5-10-22(19)29-23(25(20)24(16)21)14-17-7-6-8-18(27)13-17/h4-15,28H,1-3H3/b23-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	795	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity (IC50) against human androgen receptor expressed in CV-1 cells				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50067670 (5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-tri...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-12-11-20-19-9-4-5-10-22(19)29-23(25(20)24(16)21)14-17-7-6-8-18(27)13-17/h4-15,28H,1-3H3/b23-14-	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	458	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity (IC50) against human glucocorticoid receptor expressed in CV-1 cells				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50067670 (5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-tri...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-12-11-20-19-9-4-5-10-22(19)29-23(25(20)24(16)21)14-17-7-6-8-18(27)13-17/h4-15,28H,1-3H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.60	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Effective concentration (EC50) against human progesterone receptor expressed in CV-1 cell				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50067670 (5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-tri...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-12-11-20-19-9-4-5-10-22(19)29-23(25(20)24(16)21)14-17-7-6-8-18(27)13-17/h4-15,28H,1-3H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonistic activity by cotransfection assay against human Progesterone receptor in T47D cells				J Med Chem 42: 1466-72 (1999) Article DOI: 10.1021/jm980723h BindingDB Entry DOI: 10.7270/Q2NK3FQ9
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50067670 (5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-tri...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-12-11-20-19-9-4-5-10-22(19)29-23(25(20)24(16)21)14-17-7-6-8-18(27)13-17/h4-15,28H,1-3H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.60	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was tested for agonistic activity by cotransfection assay against human Progesterone receptor in CV-1 cells				J Med Chem 42: 1466-72 (1999) Article DOI: 10.1021/jm980723h BindingDB Entry DOI: 10.7270/Q2NK3FQ9
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50067670 (5-[1-(3-Fluoro-phenyl)-meth-(Z)-ylidene]-2,2,4-tri...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-12-11-20-19-9-4-5-10-22(19)29-23(25(20)24(16)21)14-17-7-6-8-18(27)13-17/h4-15,28H,1-3H3/b23-14-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity (IC50) against human mineralocorticoid receptor expressed in CV-1 cells				J Med Chem 41: 4354-9 (1998) Article DOI: 10.1021/jm980366a BindingDB Entry DOI: 10.7270/Q2V40TB5
					More data for this Ligand-Target Pair