BDBM50094755 CHEMBL3589694

SMILES: Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1

InChI Key: InChIKey=DIVBIWIDMRSEHZ-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 = 50094755   

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))	BDBM50094755 (CHEMBL3589694) Show SMILES Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 |c:15| Show InChI InChI=1S/C33H36N2O8S/c1-21-8-18-26(19-9-21)43-44(40,41)28-20-27-31(22-12-16-25(36)17-13-22)32(33(28)42-27)23-10-14-24(15-11-23)34-29(37)6-4-2-3-5-7-30(38)35-39/h8-19,27-28,33,36,39H,2-7,20H2,1H3,(H,34,37)(H,35,38)	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50094755 (CHEMBL3589694) Show SMILES Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 |c:15| Show InChI InChI=1S/C33H36N2O8S/c1-21-8-18-26(19-9-21)43-44(40,41)28-20-27-31(22-12-16-25(36)17-13-22)32(33(28)42-27)23-10-14-24(15-11-23)34-29(37)6-4-2-3-5-7-30(38)35-39/h8-19,27-28,33,36,39H,2-7,20H2,1H3,(H,34,37)(H,35,38)	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-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))	BDBM50094755 (CHEMBL3589694) Show SMILES Cc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 |c:15| Show InChI InChI=1S/C33H36N2O8S/c1-21-8-18-26(19-9-21)43-44(40,41)28-20-27-31(22-12-16-25(36)17-13-22)32(33(28)42-27)23-10-14-24(15-11-23)34-29(37)6-4-2-3-5-7-30(38)35-39/h8-19,27-28,33,36,39H,2-7,20H2,1H3,(H,34,37)(H,35,38)	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	38	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