Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50030481   

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
Androgen receptor (Homo sapiens (Human))	BDBM50049385 (5-Hydroxy-2-phenyl-chromen-4-one | 5-Hydroxyflavon...) Show SMILES Oc1cccc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50296861 (6-Hydroxyflavanone | 6-hydroxy-2-phenyl-2,3-dihydr...) Show SMILES Oc1ccc2OC(CC(=O)c2c1)c1ccccc1 Show InChI InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50028962 (CHEMBL275638 | flavone) Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50296862 (5-Methoxy-2-phenyl-chromen-4-one | 5-Methoxyflavon...) Show SMILES COc1cccc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50051358 (2,3-Dihydroflavone | 2,3-dihydro-2-phenyl-4H-1-ben...) Show SMILES O=C1CC(Oc2ccccc12)c1ccccc1 Show InChI InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50187668 (3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...) Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50296860 (6-Methoxyflavanone | 6-methoxy-2-phenylchroman-4-o...) Show SMILES COc1ccc2OC(CC(=O)c2c1)c1ccccc1 Show InChI InChI=1S/C16H14O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair
Androgen 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM9461 (5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...) Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a
Meijo University Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene...				Bioorg Med Chem Lett 19: 4706-10 (2009) Article DOI: 10.1016/j.bmcl.2009.06.073 BindingDB Entry DOI: 10.7270/Q26T0MNQ
					More data for this Ligand-Target Pair