Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM485074'   

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 (Homo sapiens (Human))	BDBM485074 (US10934303, Cmpd No. 38b | US10934303, Example 107...) Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1 Show InChI InChI=1S/C33H39NO3/c35-23-6-9-31(26-7-2-1-3-8-26)32(27-10-14-29(36)15-11-27)28-12-16-30(17-13-28)37-24-22-34-21-20-33(25-34)18-4-5-19-33/h1-3,7-8,10-17,35-36H,4-6,9,18-25H2/b32-31-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...				US Patent US10934303 (2021) BindingDB Entry DOI: 10.7270/Q2V40ZBT
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM485074 (US10934303, Cmpd No. 38b | US10934303, Example 107...) Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1 Show InChI InChI=1S/C33H39NO3/c35-23-6-9-31(26-7-2-1-3-8-26)32(27-10-14-29(36)15-11-27)28-12-16-30(17-13-28)37-24-22-34-21-20-33(25-34)18-4-5-19-33/h1-3,7-8,10-17,35-36H,4-6,9,18-25H2/b32-31-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In a...				Citation and Details BindingDB Entry DOI: 10.7270/Q25D8W20
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM485074 (US10934303, Cmpd No. 38b | US10934303, Example 107...) Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1 Show InChI InChI=1S/C33H39NO3/c35-23-6-9-31(26-7-2-1-3-8-26)32(27-10-14-29(36)15-11-27)28-12-16-30(17-13-28)37-24-22-34-21-20-33(25-34)18-4-5-19-33/h1-3,7-8,10-17,35-36H,4-6,9,18-25H2/b32-31-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GST-tagged ERalpha LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co-...				Citation and Details BindingDB Entry DOI: 10.7270/Q23X8B8M
					More data for this Ligand-Target Pair