BDBM50067684 2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5-dihydro-1H-6-oxa-1-aza-chrysene::CHEMBL302362::LG-120838

SMILES: CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12

InChI Key: InChIKey=YXKBVHXOKVRRKO-IWIPYMOSSA-N

Data: 5 KI  2 IC50  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 11 hits for monomerid = 50067684   

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))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				Bioorg Med Chem Lett 13: 2071-4 (2003) BindingDB Entry DOI: 10.7270/Q2SX6DSM
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	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))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	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 towards human progesterone receptor A isoform using progesterone as radioligand				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	564	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))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	844	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
Progesterone receptor (Homo sapiens (Human))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	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	5.70	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration for antagonistic activity towards human progesterone receptor (hPR) using the cotransfection assay in CV-1 cells				Bioorg Med Chem Lett 13: 2071-4 (2003) BindingDB Entry DOI: 10.7270/Q2SX6DSM
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	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	28	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Agonistic activity against human progesterone receptor in T47D breast cancer cells				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	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	1.05E+3	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))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	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	5.70	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Agonistic activity against human progesterone receptor in CV-1 cells				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	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	1.06E+3	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
Progesterone receptor (Homo sapiens (Human))	BDBM50067684 (2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-	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	5.70	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