Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50030527   

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))	BDBM50297513 (6-[2-(4-Hydroxy-phenyl)-1-methyl-ethyl]-pyridin-3-...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C14H15NO2/c1-10(14-7-6-13(17)9-15-14)8-11-2-4-12(16)5-3-11/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297514 (6-[1-(4-Hydroxy-benzyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CCC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C15H17NO2/c1-2-12(15-8-7-14(18)10-16-15)9-11-3-5-13(17)6-4-11/h3-8,10,12,17-18H,2,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297515 (6-[2-(4-Hydroxy-phenyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CC(Cc1ccc(O)cn1)c1ccc(O)cc1 Show InChI InChI=1S/C14H15NO2/c1-10(11-2-5-13(16)6-3-11)8-12-4-7-14(17)9-15-12/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297516 (CHEMBL538148 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@@H]([C@@H](C)c1ccc(O)cc1)c1ccc(O)cn1 |r| Show InChI InChI=1S/C16H19NO2/c1-3-15(16-9-8-14(19)10-17-16)11(2)12-4-6-13(18)7-5-12/h4-11,15,18-19H,3H2,1-2H3/t11-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297517 (CHEMBL552019 | cis-6-[1-ethyl-2-(4-hydroxy-phenyl)...) Show SMILES CC[C@@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297518 (CHEMBL556650 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297519 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-propane | 4,4'-(p...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11,16-17H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297513 (6-[2-(4-Hydroxy-phenyl)-1-methyl-ethyl]-pyridin-3-...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C14H15NO2/c1-10(14-7-6-13(17)9-15-14)8-11-2-4-12(16)5-3-11/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297514 (6-[1-(4-Hydroxy-benzyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CCC(Cc1ccc(O)cc1)c1ccc(O)cn1 Show InChI InChI=1S/C15H17NO2/c1-2-12(15-8-7-14(18)10-16-15)9-11-3-5-13(17)6-4-11/h3-8,10,12,17-18H,2,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297515 (6-[2-(4-Hydroxy-phenyl)-propyl]-pyridin-3-ol | CHE...) Show SMILES CC(Cc1ccc(O)cn1)c1ccc(O)cc1 Show InChI InChI=1S/C14H15NO2/c1-10(11-2-5-13(16)6-3-11)8-12-4-7-14(17)9-15-12/h2-7,9-10,16-17H,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297516 (CHEMBL538148 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@@H]([C@@H](C)c1ccc(O)cc1)c1ccc(O)cn1 |r| Show InChI InChI=1S/C16H19NO2/c1-3-15(16-9-8-14(19)10-17-16)11(2)12-4-6-13(18)7-5-12/h4-11,15,18-19H,3H2,1-2H3/t11-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297517 (CHEMBL552019 | cis-6-[1-ethyl-2-(4-hydroxy-phenyl)...) Show SMILES CC[C@@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50297518 (CHEMBL556650 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...) Show SMILES CC[C@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.610	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50297519 ((+/-)-1,2-Bis-(4-hydroxy-phenyl)-propane | 4,4'-(p...) Show SMILES CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C15H16O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11,16-17H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter...				Eur J Med Chem 44: 3560-70 (2009) Article DOI: 10.1016/j.ejmech.2009.03.013 BindingDB Entry DOI: 10.7270/Q21Z44G1
					More data for this Ligand-Target Pair