BDBM50141155 (2S,3S)-3-(4-Hydroxy-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-chroman-7-ol::CHEMBL30439

SMILES: Oc1ccc(cc1)[C@@H]1Cc2ccc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=KBMDZABSIZNFOF-XTEPFMGCSA-N

Data: 4 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 4 hits for monomerid = 50141155   

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))	BDBM50141155 ((2S,3S)-3-(4-Hydroxy-phenyl)-2-[4-(2-piperidin-1-y...) Show SMILES Oc1ccc(cc1)[C@@H]1Cc2ccc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4/c30-23-9-4-20(5-10-23)26-18-22-6-11-24(31)19-27(22)33-28(26)21-7-12-25(13-8-21)32-17-16-29-14-2-1-3-15-29/h4-13,19,26,28,30-31H,1-3,14-18H2/t26-,28+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human estrogen receptor alpha in competitive binding assay				Bioorg Med Chem Lett 14: 1417-21 (2004) Article DOI: 10.1016/j.bmcl.2004.01.031 BindingDB Entry DOI: 10.7270/Q28G8K4S
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50141155 ((2S,3S)-3-(4-Hydroxy-phenyl)-2-[4-(2-piperidin-1-y...) Show SMILES Oc1ccc(cc1)[C@@H]1Cc2ccc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4/c30-23-9-4-20(5-10-23)26-18-22-6-11-24(31)19-27(22)33-28(26)21-7-12-25(13-8-21)32-17-16-29-14-2-1-3-15-29/h4-13,19,26,28,30-31H,1-3,14-18H2/t26-,28+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human recombinant Estrogen receptor beta was determined				J Med Chem 47: 2171-5 (2004) Article DOI: 10.1021/jm034243o BindingDB Entry DOI: 10.7270/Q2XK8F08
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50141155 ((2S,3S)-3-(4-Hydroxy-phenyl)-2-[4-(2-piperidin-1-y...) Show SMILES Oc1ccc(cc1)[C@@H]1Cc2ccc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4/c30-23-9-4-20(5-10-23)26-18-22-6-11-24(31)19-27(22)33-28(26)21-7-12-25(13-8-21)32-17-16-29-14-2-1-3-15-29/h4-13,19,26,28,30-31H,1-3,14-18H2/t26-,28+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human recombinant Estrogen receptor alpha was determined				J Med Chem 47: 2171-5 (2004) Article DOI: 10.1021/jm034243o BindingDB Entry DOI: 10.7270/Q2XK8F08
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50141155 ((2S,3S)-3-(4-Hydroxy-phenyl)-2-[4-(2-piperidin-1-y...) Show SMILES Oc1ccc(cc1)[C@@H]1Cc2ccc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4/c30-23-9-4-20(5-10-23)26-18-22-6-11-24(31)19-27(22)33-28(26)21-7-12-25(13-8-21)32-17-16-29-14-2-1-3-15-29/h4-13,19,26,28,30-31H,1-3,14-18H2/t26-,28+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assay				Bioorg Med Chem Lett 14: 1417-21 (2004) Article DOI: 10.1016/j.bmcl.2004.01.031 BindingDB Entry DOI: 10.7270/Q28G8K4S
					More data for this Ligand-Target Pair