BDBM50081463 CHEMBL3422033

SMILES: CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1

InChI Key: InChIKey=HCWBEBHDRQKDTP-WCWDXBQESA-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 = 50081463   

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))	BDBM50081463 (CHEMBL3422033) Show SMILES CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C24H26N2O2/c1-2-23(17-5-11-21(27)12-6-17)24(18-3-9-20(26)10-4-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,27H,2,15-16,25-26H2,1H3/b24-23+	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	48	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))	BDBM50081463 (CHEMBL3422033) Show SMILES CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C24H26N2O2/c1-2-23(17-5-11-21(27)12-6-17)24(18-3-9-20(26)10-4-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,27H,2,15-16,25-26H2,1H3/b24-23+	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	50	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))	BDBM50081463 (CHEMBL3422033) Show SMILES CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C24H26N2O2/c1-2-23(17-5-11-21(27)12-6-17)24(18-3-9-20(26)10-4-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,27H,2,15-16,25-26H2,1H3/b24-23+	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	144	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