BDBM50238727 CHEMBL4065838

SMILES: OCCN(CCO)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1

InChI Key: InChIKey=PBAICRXMQVKVMT-OWOWUIIOSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50238727   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50238727 (CHEMBL4065838) Show SMILES OCCN(CCO)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(4,-23.69,;5.34,-22.92,;6.67,-23.7,;8,-22.93,;8.01,-21.39,;6.68,-20.62,;6.68,-19.08,;9.33,-23.71,;9.33,-25.25,;10.67,-22.94,;12.01,-23.71,;13.34,-22.94,;13.34,-21.4,;14.67,-20.63,;16.01,-21.39,;16.01,-22.94,;14.68,-23.71,;17.34,-20.61,;18.68,-21.38,;18.68,-22.87,;17.49,-24.14,;18.98,-23.73,;20.39,-24.29,;21.4,-23.01,;20,-23.35,;21.42,-21.48,;20.01,-20.91,;18.98,-22.14,;17.33,-19.07,;18.67,-18.31,;18.66,-16.77,;17.32,-16,;17.32,-14.46,;15.99,-16.79,;16,-18.32,)| Show InChI InChI=1S/C30H35NO4/c32-13-11-31(12-14-33)28(35)10-3-20-1-4-23(5-2-20)29(24-6-8-27(34)9-7-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h1-10,21-22,25-26,32-34H,11-19H2/b10-3+,30-29-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting				J Med Chem 60: 6321-6336 (2017) Article DOI: 10.1021/acs.jmedchem.7b00585 BindingDB Entry DOI: 10.7270/Q2RB76V7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50238727 (CHEMBL4065838) Show SMILES OCCN(CCO)C(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:17:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(4,-23.69,;5.34,-22.92,;6.67,-23.7,;8,-22.93,;8.01,-21.39,;6.68,-20.62,;6.68,-19.08,;9.33,-23.71,;9.33,-25.25,;10.67,-22.94,;12.01,-23.71,;13.34,-22.94,;13.34,-21.4,;14.67,-20.63,;16.01,-21.39,;16.01,-22.94,;14.68,-23.71,;17.34,-20.61,;18.68,-21.38,;18.68,-22.87,;17.49,-24.14,;18.98,-23.73,;20.39,-24.29,;21.4,-23.01,;20,-23.35,;21.42,-21.48,;20.01,-20.91,;18.98,-22.14,;17.33,-19.07,;18.67,-18.31,;18.66,-16.77,;17.32,-16,;17.32,-14.46,;15.99,-16.79,;16,-18.32,)| Show InChI InChI=1S/C30H35NO4/c32-13-11-31(12-14-33)28(35)10-3-20-1-4-23(5-2-20)29(24-6-8-27(34)9-7-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h1-10,21-22,25-26,32-34H,11-19H2/b10-3+,30-29-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Downregulation of human ERalpha in human MCF-7 cells after 24 hrs by in-cell Western immunoassay method				J Med Chem 60: 6321-6336 (2017) Article DOI: 10.1021/acs.jmedchem.7b00585 BindingDB Entry DOI: 10.7270/Q2RB76V7
					More data for this Ligand-Target Pair