Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50471252'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor beta (Homo sapiens (Human))	BDBM50471252 (CHEMBL1222035 | ICI-164384) Show SMILES [H][C@]1(O)CC[C@@]2([H])[C@]3([H])[C@H](CCCCCCCCCCC(=O)N(C)CCCC)Cc4cc(O)ccc4[C@@]3([H])CC[C@]12C Show InChI InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Le Centre Hospitalier Universitaire de Qu£bec Curated by ChEMBL					Assay Description Apparent inhibition constant for estrogen receptor in Human Breast cancer cytosol in 2.5%DMF				J Med Chem 40: 2117-22 (1997) Article DOI: 10.1021/jm970095o BindingDB Entry DOI: 10.7270/Q2474DKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50471252 (CHEMBL1222035 | ICI-164384) Show SMILES [H][C@]1(O)CC[C@@]2([H])[C@]3([H])[C@H](CCCCCCCCCCC(=O)N(C)CCCC)Cc4cc(O)ccc4[C@@]3([H])CC[C@]12C Show InChI InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Le Centre Hospitalier Universitaire de Qu£bec Curated by ChEMBL					Assay Description Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 2.5%DMF				J Med Chem 40: 2117-22 (1997) Article DOI: 10.1021/jm970095o BindingDB Entry DOI: 10.7270/Q2474DKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50471252 (CHEMBL1222035 | ICI-164384) Show SMILES [H][C@]1(O)CC[C@@]2([H])[C@]3([H])[C@H](CCCCCCCCCCC(=O)N(C)CCCC)Cc4cc(O)ccc4[C@@]3([H])CC[C@]12C Show InChI InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Le Centre Hospitalier Universitaire de Qu£bec Curated by ChEMBL					Assay Description Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 3.3%ethanol				J Med Chem 40: 2117-22 (1997) Article DOI: 10.1021/jm970095o BindingDB Entry DOI: 10.7270/Q2474DKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50471252 (CHEMBL1222035 | ICI-164384) Show SMILES [H][C@]1(O)CC[C@@]2([H])[C@]3([H])[C@H](CCCCCCCCCCC(=O)N(C)CCCC)Cc4cc(O)ccc4[C@@]3([H])CC[C@]12C Show InChI InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Le Centre Hospitalier Universitaire de Qu£bec Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor in Human Breast cancer cytosol (3.3% ethanol)				J Med Chem 40: 2117-22 (1997) Article DOI: 10.1021/jm970095o BindingDB Entry DOI: 10.7270/Q2474DKC
					More data for this Ligand-Target Pair				3D Structure (crystal)