BDBM50094750 CHEMBL3589357

SMILES: OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc(O)c1)c1ccc(O)cc1

InChI Key: InChIKey=HNLHZLHXGMYVNW-UHFFFAOYSA-N

Data: 2 KI  1 IC50  2 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 5 hits for monomerid = 50094750   

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))	BDBM50094750 (CHEMBL3589357) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc(O)c1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H33NO9S/c34-23-16-12-20(13-17-23)30-26-19-27(43(39,40)42-25-7-5-6-24(35)18-25)32(41-26)31(30)21-10-14-22(15-11-21)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	81	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))	BDBM50094750 (CHEMBL3589357) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc(O)c1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H33NO9S/c34-23-16-12-20(13-17-23)30-26-19-27(43(39,40)42-25-7-5-6-24(35)18-25)32(41-26)31(30)21-10-14-22(15-11-21)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	101	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50094750 (CHEMBL3589357) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc(O)c1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H33NO9S/c34-23-16-12-20(13-17-23)30-26-19-27(43(39,40)42-25-7-5-6-24(35)18-25)32(41-26)31(30)21-10-14-22(15-11-21)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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	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 Inhibition of human recombinant HDAC6 after 15 mins by fluorogenic 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))	BDBM50094750 (CHEMBL3589357) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc(O)c1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H33NO9S/c34-23-16-12-20(13-17-23)30-26-19-27(43(39,40)42-25-7-5-6-24(35)18-25)32(41-26)31(30)21-10-14-22(15-11-21)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	8.10E+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
Estrogen receptor (Homo sapiens (Human))	BDBM50094750 (CHEMBL3589357) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1cccc(O)c1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H33NO9S/c34-23-16-12-20(13-17-23)30-26-19-27(43(39,40)42-25-7-5-6-24(35)18-25)32(41-26)31(30)21-10-14-22(15-11-21)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	3.69E+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-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