Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50023941   

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))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lausanne Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				J Nat Prod 65: 1749-53 (2002) Article DOI: 10.1021/np0201164 BindingDB Entry DOI: 10.7270/Q2S46RQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lausanne Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				J Nat Prod 65: 1749-53 (2002) Article DOI: 10.1021/np0201164 BindingDB Entry DOI: 10.7270/Q2S46RQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50250906 (4',5,7-trihydroxy-6,8-dimethylisoflavone | CHEMBL5...) Show SMILES Cc1c(O)c(C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O Show InChI InChI=1S/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)12(7-22-17)10-3-5-11(18)6-4-10/h3-7,18-20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lausanne Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				J Nat Prod 65: 1749-53 (2002) Article DOI: 10.1021/np0201164 BindingDB Entry DOI: 10.7270/Q2S46RQX
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM23420 (7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lausanne Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				J Nat Prod 65: 1749-53 (2002) Article DOI: 10.1021/np0201164 BindingDB Entry DOI: 10.7270/Q2S46RQX
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50250906 (4',5,7-trihydroxy-6,8-dimethylisoflavone | CHEMBL5...) Show SMILES Cc1c(O)c(C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O Show InChI InChI=1S/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)12(7-22-17)10-3-5-11(18)6-4-10/h3-7,18-20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lausanne Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				J Nat Prod 65: 1749-53 (2002) Article DOI: 10.1021/np0201164 BindingDB Entry DOI: 10.7270/Q2S46RQX
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM23420 (7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lausanne Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				J Nat Prod 65: 1749-53 (2002) Article DOI: 10.1021/np0201164 BindingDB Entry DOI: 10.7270/Q2S46RQX
					More data for this Ligand-Target Pair