BDBM50081407 CHEMBL3422043

SMILES: NCCOc1ccc(cc1)C(=C(\Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1

InChI Key: InChIKey=YDYQORQPBJHCOL-IZHYLOQSSA-N

Data: 1 IC50  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 3 hits for monomerid = 50081407   

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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50081407 (CHEMBL3422043) Show SMILES NCCOc1ccc(cc1)C(=C(\Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	715	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...				J Med Chem 58: 2623-48 (2015) Article DOI: 10.1021/jm501218e BindingDB Entry DOI: 10.7270/Q2TX3H32
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50081407 (CHEMBL3422043) Show SMILES NCCOc1ccc(cc1)C(=C(\Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay				J Med Chem 58: 2623-48 (2015) Article DOI: 10.1021/jm501218e BindingDB Entry DOI: 10.7270/Q2TX3H32
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50081407 (CHEMBL3422043) Show SMILES NCCOc1ccc(cc1)C(=C(\Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1 Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay				J Med Chem 58: 2623-48 (2015) Article DOI: 10.1021/jm501218e BindingDB Entry DOI: 10.7270/Q2TX3H32
					More data for this Ligand-Target Pair