BDBM50523926 CHEMBL4449028

SMILES: CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OC(C)C)c(C)c1

InChI Key: InChIKey=LUXBYALRYCXAJI-UHFFFAOYSA-N

Data: 2 IC50  1 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 = 50523926   

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))	BDBM50523926 (CHEMBL4449028) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OC(C)C)c(C)c1 Show InChI InChI=1S/C26H36O4/c1-7-13-26(14-8-2,21-9-11-23(27)19(5)15-21)22-10-12-24(20(6)16-22)29-17-25(28)30-18(3)4/h9-12,15-16,18,27H,7-8,13-14,17H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	116	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalph...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523926 (CHEMBL4449028) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OC(C)C)c(C)c1 Show InChI InChI=1S/C26H36O4/c1-7-13-26(14-8-2,21-9-11-23(27)19(5)15-21)22-10-12-24(20(6)16-22)29-17-25(28)30-18(3)4/h9-12,15-16,18,27H,7-8,13-14,17H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50523926 (CHEMBL4449028) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCC(=O)OC(C)C)c(C)c1 Show InChI InChI=1S/C26H36O4/c1-7-13-26(14-8-2,21-9-11-23(27)19(5)15-21)22-10-12-24(20(6)16-22)29-17-25(28)30-18(3)4/h9-12,15-16,18,27H,7-8,13-14,17H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042
					More data for this Ligand-Target Pair