Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50048492   

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))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218382 (CHEMBL76909) Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cc(O)cc1n23 Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218372 (CHEMBL80124) Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3c(O)ccc1n23 Show InChI InChI=1S/C18H15NO2/c1-2-13-14-9-10-17(21)15-7-8-16(19(14)15)18(13)11-3-5-12(20)6-4-11/h3-10,20-21H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218327 (CHEMBL312193) Show SMILES CCCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23 Show InChI InChI=1S/C19H17NO/c1-2-4-16-17-6-3-5-14-9-12-18(20(14)17)19(16)13-7-10-15(21)11-8-13/h3,5-12,21H,2,4H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218330 (CHEMBL312655) Show SMILES CC(C)c1c(-c2ccc(O)cc2)c2ccc3cccc1n23 Show InChI InChI=1S/C19H17NO/c1-12(2)18-16-5-3-4-14-8-11-17(20(14)16)19(18)13-6-9-15(21)10-7-13/h3-12,21H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50085657 (4-(1-Ethyl-pyrrolo[2,1,5-cd]indolizin-2-yl)-phenol...) Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23 Show InChI InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218384 (CHEMBL407164) Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3ccc(CO)c1n23 Show InChI InChI=1S/C19H17NO2/c1-2-16-18(12-4-8-15(22)9-5-12)17-10-7-14-6-3-13(11-21)19(16)20(14)17/h3-10,21-22H,2,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218328 (CHEMBL80976) Show SMILES Oc1ccc(cc1)C1=c2ccc3=CC=C4CCCCC1C4n23 |c:8,t:12,14| Show InChI InChI=1S/C20H19NO/c22-16-10-6-13(7-11-16)19-17-4-2-1-3-14-5-8-15-9-12-18(19)21(15)20(14)17/h5-12,17,20,22H,1-4H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218325 (CHEMBL308872) Show SMILES Cc1c(-c2ccc(O)cc2)c2ccc3cccc1n23 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218326 (CHEMBL80560) Show SMILES Oc1ccc(cc1)C1=c2ccc3=CC=C4CCCC1C4n23 |c:8,t:12,14| Show InChI InChI=1S/C19H17NO/c21-15-9-5-12(6-10-15)18-16-3-1-2-13-4-7-14-8-11-17(18)20(14)19(13)16/h4-11,16,19,21H,1-3H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218331 (CHEMBL308754) Show SMILES CCc1c(-c2ccccc2)c2ccc3c(O)ccc1n23 Show InChI InChI=1S/C18H15NO/c1-2-13-14-10-11-17(20)15-8-9-16(19(14)15)18(13)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218383 (CHEMBL309677) Show SMILES Oc1ccc(cc1)C1=c2ccc3=CC=CC(C1CCc1ccccc1)n23 |c:8,14,t:12| Show InChI InChI=1S/C24H21NO/c26-20-13-10-18(11-14-20)24-21(15-9-17-5-2-1-3-6-17)22-8-4-7-19-12-16-23(24)25(19)22/h1-8,10-14,16,21-22,26H,9,15H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218329 (CHEMBL78526) Show SMILES CCCCC1C2C=CC=c3ccc(=C1c1ccc(O)cc1)n23 |c:6,t:8,12| Show InChI InChI=1S/C20H21NO/c1-2-3-6-17-18-7-4-5-15-10-13-19(21(15)18)20(17)14-8-11-16(22)12-9-14/h4-5,7-13,17-18,22H,2-3,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218381 (CHEMBL80470) Show SMILES CCc1c(-c2cccc(O)c2)c2ccc3cccc1n23 Show InChI InChI=1S/C18H15NO/c1-2-15-16-8-4-6-13-9-10-17(19(13)16)18(15)12-5-3-7-14(20)11-12/h3-11,20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218332 (CHEMBL80983) Show SMILES Oc1ccc(cc1)-c1cc2cccc3ccc1n23 Show InChI InChI=1S/C16H11NO/c18-14-7-4-11(5-8-14)15-10-13-3-1-2-12-6-9-16(15)17(12)13/h1-10,18H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218349 (CHEMBL77680) Show SMILES CCCC(C)C1C2C=CC=c3ccc(=C1c1ccc(O)cc1)n23 |c:7,t:9,13| Show InChI InChI=1S/C21H23NO/c1-3-5-14(2)20-18-7-4-6-16-10-13-19(22(16)18)21(20)15-8-11-17(23)12-9-15/h4,6-14,18,20,23H,3,5H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50218385 (CHEMBL309916) Show SMILES CCc1c(-c2ccccc2)c2ccc3cc(O)cc1n23 Show InChI InChI=1S/C18H15NO/c1-2-15-17-11-14(20)10-13-8-9-16(19(13)17)18(15)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue				Bioorg Med Chem Lett 10: 2383-6 (2000) BindingDB Entry DOI: 10.7270/Q28G8NWG
					More data for this Ligand-Target Pair