BDBM50094752 CHEMBL3589362

SMILES: OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1

InChI Key: InChIKey=XNZJJMPHCJPWJK-UHFFFAOYSA-N

Data: 2 KI  2 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 6 hits for monomerid = 50094752   

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))	BDBM50094752 (CHEMBL3589362) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H32ClNO8S/c33-22-11-17-25(18-12-22)42-43(39,40)27-19-26-30(20-9-15-24(35)16-10-20)31(32(27)41-26)21-7-13-23(14-8-21)34-28(36)5-3-1-2-4-6-29(37)38/h7-18,26-27,32,35H,1-6,19H2,(H,34,36)(H,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	126	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))	BDBM50094752 (CHEMBL3589362) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H32ClNO8S/c33-22-11-17-25(18-12-22)42-43(39,40)27-19-26-30(20-9-15-24(35)16-10-20)31(32(27)41-26)21-7-13-23(14-8-21)34-28(36)5-3-1-2-4-6-29(37)38/h7-18,26-27,32,35H,1-6,19H2,(H,34,36)(H,37,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	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))	BDBM50094752 (CHEMBL3589362) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H32ClNO8S/c33-22-11-17-25(18-12-22)42-43(39,40)27-19-26-30(20-9-15-24(35)16-10-20)31(32(27)41-26)21-7-13-23(14-8-21)34-28(36)5-3-1-2-4-6-29(37)38/h7-18,26-27,32,35H,1-6,19H2,(H,34,36)(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	1.46E+3	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50094752 (CHEMBL3589362) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H32ClNO8S/c33-22-11-17-25(18-12-22)42-43(39,40)27-19-26-30(20-9-15-24(35)16-10-20)31(32(27)41-26)21-7-13-23(14-8-21)34-28(36)5-3-1-2-4-6-29(37)38/h7-18,26-27,32,35H,1-6,19H2,(H,34,36)(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	241	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 HDAC1 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))	BDBM50094752 (CHEMBL3589362) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H32ClNO8S/c33-22-11-17-25(18-12-22)42-43(39,40)27-19-26-30(20-9-15-24(35)16-10-20)31(32(27)41-26)21-7-13-23(14-8-21)34-28(36)5-3-1-2-4-6-29(37)38/h7-18,26-27,32,35H,1-6,19H2,(H,34,36)(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	580	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))	BDBM50094752 (CHEMBL3589362) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C32H32ClNO8S/c33-22-11-17-25(18-12-22)42-43(39,40)27-19-26-30(20-9-15-24(35)16-10-20)31(32(27)41-26)21-7-13-23(14-8-21)34-28(36)5-3-1-2-4-6-29(37)38/h7-18,26-27,32,35H,1-6,19H2,(H,34,36)(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	790	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