null

SMILES: Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(COCCN2CCCCC2)cc1

InChI Key: InChIKey=GPLOFIHKLFTQMK-WUFINQPMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149064   

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))	BDBM50149064 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-piperidin-1-y...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(COCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4S/c30-23-10-8-22(9-11-23)28-27(33-25-13-12-24(31)18-26(25)34-28)21-6-4-20(5-7-21)19-32-17-16-29-14-2-1-3-15-29/h4-13,18,27-28,30-31H,1-3,14-17,19H2/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149064 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-piperidin-1-y...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(COCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4S/c30-23-10-8-22(9-11-23)28-27(33-25-13-12-24(31)18-26(25)34-28)21-6-4-20(5-7-21)19-32-17-16-29-14-2-1-3-15-29/h4-13,18,27-28,30-31H,1-3,14-17,19H2/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair