BDBM50523936 CHEMBL4524860

SMILES: CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCC(C)C)c(C)c1

InChI Key: InChIKey=RAAYPQSYTIGFHT-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 = 50523936   

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))	BDBM50523936 (CHEMBL4524860) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCC(C)C)c(C)c1 Show InChI InChI=1S/C26H38O2/c1-7-14-26(15-8-2,22-9-11-24(27)20(5)17-22)23-10-12-25(21(6)18-23)28-16-13-19(3)4/h9-12,17-19,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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
Estrogen receptor (Homo sapiens (Human))	BDBM50523936 (CHEMBL4524860) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCC(C)C)c(C)c1 Show InChI InChI=1S/C26H38O2/c1-7-14-26(15-8-2,22-9-11-24(27)20(5)17-22)23-10-12-25(21(6)18-23)28-16-13-19(3)4/h9-12,17-19,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	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))	BDBM50523936 (CHEMBL4524860) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCC(C)C)c(C)c1 Show InChI InChI=1S/C26H38O2/c1-7-14-26(15-8-2,22-9-11-24(27)20(5)17-22)23-10-12-25(21(6)18-23)28-16-13-19(3)4/h9-12,17-19,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	427	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