BDBM50094747 CHEMBL3589350

SMILES: OC(=O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)c1

InChI Key: InChIKey=MTQYUUNWBJBAPY-UHFFFAOYSA-N

Data: 2 KI  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 = 50094747   

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))	BDBM50094747 (CHEMBL3589350) Show SMILES OC(=O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)c1 |c:27| Show InChI InChI=1S/C32H33NO9S/c34-23-14-10-20(11-15-23)30-26-19-27(32(41-26)31(30)21-12-16-24(35)17-13-21)43(39,40)42-25-7-5-6-22(18-25)33-28(36)8-3-1-2-4-9-29(37)38/h5-7,10-18,26-27,32,34-35H,1-4,8-9,19H2,(H,33,36)(H,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) Curated by ChEMBL					Assay Description Binding affinity to human ER-alpha ligand binding domain after 2 hrs by competitive fluorometric binding assay				J Med Chem 58: 4550-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b00099 BindingDB Entry DOI: 10.7270/Q2Z321CF
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50094747 (CHEMBL3589350) Show SMILES OC(=O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)c1 |c:27| Show InChI InChI=1S/C32H33NO9S/c34-23-14-10-20(11-15-23)30-26-19-27(32(41-26)31(30)21-12-16-24(35)17-13-21)43(39,40)42-25-7-5-6-22(18-25)33-28(36)8-3-1-2-4-9-29(37)38/h5-7,10-18,26-27,32,34-35H,1-4,8-9,19H2,(H,33,36)(H,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) Curated by ChEMBL					Assay Description Binding affinity to human ER-beta ligand binding domain after 2 hrs by competitive fluorometric binding assay				J Med Chem 58: 4550-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b00099 BindingDB Entry DOI: 10.7270/Q2Z321CF
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50094747 (CHEMBL3589350) Show SMILES OC(=O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)c1 |c:27| Show InChI InChI=1S/C32H33NO9S/c34-23-14-10-20(11-15-23)30-26-19-27(32(41-26)31(30)21-12-16-24(35)17-13-21)43(39,40)42-25-7-5-6-22(18-25)33-28(36)8-3-1-2-4-9-29(37)38/h5-7,10-18,26-27,32,34-35H,1-4,8-9,19H2,(H,33,36)(H,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) Curated by ChEMBL					Assay Description Agonist activity at ER-beta (unknown origin) transfected in HEK293T cells assessed as stimulation of transcriptional activity after 24 hrs by lucifer...				J Med Chem 58: 4550-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b00099 BindingDB Entry DOI: 10.7270/Q2Z321CF
					More data for this Ligand-Target Pair