BDBM50162794 (2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-chroman-7-ol::CHEMBL362428

SMILES: C[C@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1

InChI Key: InChIKey=QZFNCDFOOSETTB-FXAGJUNHSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50162794   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50162794 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28-,29+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50162794 ((2R,3R,4S)-3-(4-Hydroxy-phenyl)-4-methyl-2-[4-(2-p...) Show SMILES C[C@H]1[C@@H]([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H33NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19-20,28-29,31-32H,2-4,15-18H2,1H3/t20-,28-,29+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1675-81 (2005) Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB
					More data for this Ligand-Target Pair