Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 320.2 BDBM50305316

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50305316 (3-benzyl-7-hydroxy-4-(trifluoromethyl)-2H-chromen-...) Show SMILES Oc1ccc2c(c(Cc3ccccc3)c(=O)oc2c1)C(F)(F)F Show InChI InChI=1S/C17H11F3O3/c18-17(19,20)15-12-7-6-11(21)9-14(12)23-16(22)13(15)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Chemical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human 17beta-HSD3 expressed in HeLa cells				Bioorg Med Chem Lett 20: 272-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.111 BindingDB Entry DOI: 10.7270/Q2SF2W8B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50305316 (3-benzyl-7-hydroxy-4-(trifluoromethyl)-2H-chromen-...) Show SMILES Oc1ccc2c(c(Cc3ccccc3)c(=O)oc2c1)C(F)(F)F Show InChI InChI=1S/C17H11F3O3/c18-17(19,20)15-12-7-6-11(21)9-14(12)23-16(22)13(15)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Chemical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at ER by reporter gene assay				Bioorg Med Chem Lett 20: 272-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.111 BindingDB Entry DOI: 10.7270/Q2SF2W8B
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50305316 (3-benzyl-7-hydroxy-4-(trifluoromethyl)-2H-chromen-...) Show SMILES Oc1ccc2c(c(Cc3ccccc3)c(=O)oc2c1)C(F)(F)F Show InChI InChI=1S/C17H11F3O3/c18-17(19,20)15-12-7-6-11(21)9-14(12)23-16(22)13(15)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Chemical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at AR by reporter gene assay				Bioorg Med Chem Lett 20: 272-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.111 BindingDB Entry DOI: 10.7270/Q2SF2W8B
					More data for this Ligand-Target Pair