null

SMILES: CC1(C)CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1

InChI Key: InChIKey=FAZOEMRTBCXQLO-RRPNLBNLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50157150   

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))	BDBM50157150 ((2S,3R)-2-{4-[2-(3,3-Dimethyl-pyrrolidin-1-yl)-eth...) Show SMILES CC1(C)CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C28H31NO4S/c1-28(2)13-14-29(18-28)15-16-32-23-10-5-19(6-11-23)26-27(20-3-7-21(30)8-4-20)34-25-17-22(31)9-12-24(25)33-26/h3-12,17,26-27,30-31H,13-16,18H2,1-2H3/t26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of bindign to recombinant human estrogen receptor alpha				Bioorg Med Chem Lett 15: 107-13 (2004) Article DOI: 10.1016/j.bmcl.2004.10.036 BindingDB Entry DOI: 10.7270/Q2GM86S0
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50157150 ((2S,3R)-2-{4-[2-(3,3-Dimethyl-pyrrolidin-1-yl)-eth...) Show SMILES CC1(C)CCN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C1 Show InChI InChI=1S/C28H31NO4S/c1-28(2)13-14-29(18-28)15-16-32-23-10-5-19(6-11-23)26-27(20-3-7-21(30)8-4-20)34-25-17-22(31)9-12-24(25)33-26/h3-12,17,26-27,30-31H,13-16,18H2,1-2H3/t26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to recombinant human estrogen receptor beta				Bioorg Med Chem Lett 15: 107-13 (2004) Article DOI: 10.1016/j.bmcl.2004.10.036 BindingDB Entry DOI: 10.7270/Q2GM86S0
					More data for this Ligand-Target Pair