Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50011262   

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 beta (Homo sapiens (Human))	BDBM50104326 (4-{3-(4-hydroxy-phenyl)-4-ethyl-5-[4-(2-piperidin-...) Show SMILES CCc1c(oc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C31H33NO4/c1-2-28-29(22-6-12-25(33)13-7-22)31(24-8-14-26(34)15-9-24)36-30(28)23-10-16-27(17-11-23)35-21-20-32-18-4-3-5-19-32/h6-17,33-34H,2-5,18-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor beta				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104326 (4-{3-(4-hydroxy-phenyl)-4-ethyl-5-[4-(2-piperidin-...) Show SMILES CCc1c(oc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C31H33NO4/c1-2-28-29(22-6-12-25(33)13-7-22)31(24-8-14-26(34)15-9-24)36-30(28)23-10-16-27(17-11-23)35-21-20-32-18-4-3-5-19-32/h6-17,33-34H,2-5,18-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor alpha				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50104329 (4-{3-Ethyl-5-phenyl-4-[4-(2-piperidin-1-yl-ethoxy)...) Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccccc1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H33NO3/c1-2-28-29(23-13-17-27(18-14-23)34-22-21-32-19-7-4-8-20-32)31(24-9-5-3-6-10-24)35-30(28)25-11-15-26(33)16-12-25/h3,5-6,9-18,33H,2,4,7-8,19-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor beta				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50104324 (4-{5-(4-hydroxy-phenyl)-4-methyl-3-[4-(2-piperidin...) Show SMILES Cc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C30H31NO4/c1-21-28(22-9-15-27(16-10-22)34-20-19-31-17-3-2-4-18-31)30(24-7-13-26(33)14-8-24)35-29(21)23-5-11-25(32)12-6-23/h5-16,32-33H,2-4,17-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor beta				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50104325 (4-[5-(4-hydroxy-phenyl)-4-ethyl-3-(4-methoxy-pheny...) Show SMILES CCc1c(oc(c1-c1ccc(OC)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H22O4/c1-3-22-23(16-8-14-21(28-2)15-9-16)25(18-6-12-20(27)13-7-18)29-24(22)17-4-10-19(26)11-5-17/h4-15,26-27H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor beta				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104325 (4-[5-(4-hydroxy-phenyl)-4-ethyl-3-(4-methoxy-pheny...) Show SMILES CCc1c(oc(c1-c1ccc(OC)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H22O4/c1-3-22-23(16-8-14-21(28-2)15-9-16)25(18-6-12-20(27)13-7-18)29-24(22)17-4-10-19(26)11-5-17/h4-15,26-27H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor alpha				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50104327 (4-{5-(4-hydroxy-phenyl)-4-ethyl-3-[4-(2-piperidin-...) Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H33NO4/c1-2-28-29(22-10-16-27(17-11-22)35-21-20-32-18-4-3-5-19-32)31(24-8-14-26(34)15-9-24)36-30(28)23-6-12-25(33)13-7-23/h6-17,33-34H,2-5,18-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor beta				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104329 (4-{3-Ethyl-5-phenyl-4-[4-(2-piperidin-1-yl-ethoxy)...) Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccccc1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H33NO3/c1-2-28-29(23-13-17-27(18-14-23)34-22-21-32-19-7-4-8-20-32)31(24-9-5-3-6-10-24)35-30(28)25-11-15-26(33)16-12-25/h3,5-6,9-18,33H,2,4,7-8,19-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor alpha				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50104323 (4-{5-(4-hydroxy-phenyl)-4-propyl-3-[4-(2-piperidin...) Show SMILES CCCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C32H35NO4/c1-2-6-29-30(23-11-17-28(18-12-23)36-22-21-33-19-4-3-5-20-33)32(25-9-15-27(35)16-10-25)37-31(29)24-7-13-26(34)14-8-24/h7-18,34-35H,2-6,19-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor beta				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50104328 (4-{4-Ethyl-5-phenyl-3-[4-(2-piperidin-1-yl-ethoxy)...) Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccccc1 Show InChI InChI=1S/C31H33NO3/c1-2-28-29(23-13-17-27(18-14-23)34-22-21-32-19-7-4-8-20-32)31(25-11-15-26(33)16-12-25)35-30(28)24-9-5-3-6-10-24/h3,5-6,9-18,33H,2,4,7-8,19-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor beta				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104324 (4-{5-(4-hydroxy-phenyl)-4-methyl-3-[4-(2-piperidin...) Show SMILES Cc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C30H31NO4/c1-21-28(22-9-15-27(16-10-22)34-20-19-31-17-3-2-4-18-31)30(24-7-13-26(33)14-8-24)35-29(21)23-5-11-25(32)12-6-23/h5-16,32-33H,2-4,17-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor alpha				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104323 (4-{5-(4-hydroxy-phenyl)-4-propyl-3-[4-(2-piperidin...) Show SMILES CCCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C32H35NO4/c1-2-6-29-30(23-11-17-28(18-12-23)36-22-21-33-19-4-3-5-20-33)32(25-9-15-27(35)16-10-25)37-31(29)24-7-13-26(34)14-8-24/h7-18,34-35H,2-6,19-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor alpha				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104328 (4-{4-Ethyl-5-phenyl-3-[4-(2-piperidin-1-yl-ethoxy)...) Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccccc1 Show InChI InChI=1S/C31H33NO3/c1-2-28-29(23-13-17-27(18-14-23)34-22-21-32-19-7-4-8-20-32)31(25-11-15-26(33)16-12-25)35-30(28)24-9-5-3-6-10-24/h3,5-6,9-18,33H,2,4,7-8,19-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor alpha				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104327 (4-{5-(4-hydroxy-phenyl)-4-ethyl-3-[4-(2-piperidin-...) Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H33NO4/c1-2-28-29(22-10-16-27(17-11-22)35-21-20-32-18-4-3-5-19-32)31(24-8-14-26(34)15-9-24)36-30(28)23-6-12-25(33)13-7-23/h6-17,33-34H,2-5,18-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Displacement of [3H]-estradiol from Estrogen receptor alpha				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104327 (4-{5-(4-hydroxy-phenyl)-4-ethyl-3-[4-(2-piperidin-...) Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H33NO4/c1-2-28-29(22-10-16-27(17-11-22)35-21-20-32-18-4-3-5-19-32)31(24-8-14-26(34)15-9-24)36-30(28)23-6-12-25(33)13-7-23/h6-17,33-34H,2-5,18-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor alpha				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50104327 (4-{5-(4-hydroxy-phenyl)-4-ethyl-3-[4-(2-piperidin-...) Show SMILES CCc1c(oc(c1-c1ccc(OCCN2CCCCC2)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C31H33NO4/c1-2-28-29(22-10-16-27(17-11-22)35-21-20-32-18-4-3-5-19-32)31(24-8-14-26(34)15-9-24)36-30(28)23-6-12-25(33)13-7-23/h6-17,33-34H,2-5,18-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor beta				Bioorg Med Chem Lett 11: 2521-4 (2001) BindingDB Entry DOI: 10.7270/Q2PV6JNV
					More data for this Ligand-Target Pair