BDBM50094753 CHEMBL3589366

SMILES: Cc1cccc(C)c1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1

InChI Key: InChIKey=VRDKKNOCGKKFOO-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 = 50094753   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50094753 (CHEMBL3589366) Show SMILES Cc1cccc(C)c1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19| Show InChI InChI=1S/C34H37NO8S/c1-21-8-7-9-22(2)33(21)43-44(40,41)28-20-27-31(23-14-18-26(36)19-15-23)32(34(28)42-27)24-12-16-25(17-13-24)35-29(37)10-5-3-4-6-11-30(38)39/h7-9,12-19,27-28,34,36H,3-6,10-11,20H2,1-2H3,(H,35,37)(H,38,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	971	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
Estrogen receptor (Homo sapiens (Human))	BDBM50094753 (CHEMBL3589366) Show SMILES Cc1cccc(C)c1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19| Show InChI InChI=1S/C34H37NO8S/c1-21-8-7-9-22(2)33(21)43-44(40,41)28-20-27-31(23-14-18-26(36)19-15-23)32(34(28)42-27)24-12-16-25(17-13-24)35-29(37)10-5-3-4-6-11-30(38)39/h7-9,12-19,27-28,34,36H,3-6,10-11,20H2,1-2H3,(H,35,37)(H,38,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	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
Estrogen receptor (Homo sapiens (Human))	BDBM50094753 (CHEMBL3589366) Show SMILES Cc1cccc(C)c1OS(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1 |c:19| Show InChI InChI=1S/C34H37NO8S/c1-21-8-7-9-22(2)33(21)43-44(40,41)28-20-27-31(23-14-18-26(36)19-15-23)32(34(28)42-27)24-12-16-25(17-13-24)35-29(37)10-5-3-4-6-11-30(38)39/h7-9,12-19,27-28,34,36H,3-6,10-11,20H2,1-2H3,(H,35,37)(H,38,39)	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	320	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-alpha (unknown origin) transfected in HEK293T cells assessed as stimulation of transcriptional activity after 24 hrs by lucife...				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