null

SMILES: Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC3CC2CO3)cc1

InChI Key: InChIKey=OYAILXOXIFBWFX-ARSTWGPPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149490   

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 beta (Homo sapiens (Human))	BDBM50149490 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[2-(2-oxa-5-aza-...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC3CC2CO3)cc1 |THB:24:25:28:31.30| Show InChI InChI=1S/C27H27NO5S/c29-20-5-1-18(2-6-20)27-26(33-24-10-7-21(30)14-25(24)34-27)17-3-8-22(9-4-17)31-12-11-28-15-23-13-19(28)16-32-23/h1-10,14,19,23,26-27,29-30H,11-13,15-16H2/t19?,23?,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER beta				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149490 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[2-(2-oxa-5-aza-...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC3CC2CO3)cc1 |THB:24:25:28:31.30| Show InChI InChI=1S/C27H27NO5S/c29-20-5-1-18(2-6-20)27-26(33-24-10-7-21(30)14-25(24)34-27)17-3-8-22(9-4-17)31-12-11-28-15-23-13-19(28)16-32-23/h1-10,14,19,23,26-27,29-30H,11-13,15-16H2/t19?,23?,26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
					More data for this Ligand-Target Pair