Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50123209'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50123209 (5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...) Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1 |t:8| Show InChI InChI=1S/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Binding affinity for Human Estrogen receptor-alpha				Bioorg Med Chem Lett 13: 479-83 (2003) BindingDB Entry DOI: 10.7270/Q2F76BXK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50123209 (5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...) Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1 |t:8| Show InChI InChI=1S/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Binding affinity for estrogen receptor alpha				Bioorg Med Chem Lett 14: 1317-21 (2004) Article DOI: 10.1016/j.bmcl.2003.12.058 BindingDB Entry DOI: 10.7270/Q2Z60NGH
					More data for this Ligand-Target Pair
Estrogen receptor (RAT)	BDBM50123209 (5'-(2-hexahydro-1-pyridinylethoxy)-2-(4-hydroxyphe...) Show SMILES Oc1ccc(cc1)C1=Cc2cc(O)ccc2C11Cc2ccc(OCCN3CCCCC3)cc2C1 |t:8| Show InChI InChI=1S/C30H31NO3/c32-25-7-4-21(5-8-25)29-18-23-16-26(33)9-11-28(23)30(29)19-22-6-10-27(17-24(22)20-30)34-15-14-31-12-2-1-3-13-31/h4-11,16-18,32-33H,1-3,12-15,19-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for Rat Estrogen receptor-alpha				Bioorg Med Chem Lett 13: 479-83 (2003) BindingDB Entry DOI: 10.7270/Q2F76BXK
					More data for this Ligand-Target Pair