Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 270.2 BDBM50266759Purchase

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

Found 5 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 (Rattus norvegicus)	BDBM50266759 ((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...) Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Rattus norvegicus (rat))	BDBM50266759 ((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...) Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical College Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM				Bioorg Med Chem Lett 23: 4362-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.080 BindingDB Entry DOI: 10.7270/Q27D2WJM
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50266759 ((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...) Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	507	n/a	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical College Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 transfected in CHOP cells				Bioorg Med Chem Lett 23: 4362-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.080 BindingDB Entry DOI: 10.7270/Q27D2WJM
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Rattus norvegicus)	BDBM50266759 ((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...) Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes				Bioorg Med Chem Lett 20: 2549-51 (2010) Article DOI: 10.1016/j.bmcl.2010.02.089 BindingDB Entry DOI: 10.7270/Q2R211J3
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50266759 ((1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-on...) Show SMILES Fc1ccc(\C=C\C(=O)\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Putra Malaysia Curated by ChEMBL					Assay Description Inhibition of tyrosinase				Eur J Med Chem 44: 3195-200 (2009) Article DOI: 10.1016/j.ejmech.2009.03.020 BindingDB Entry DOI: 10.7270/Q29S1R35
					More data for this Ligand-Target Pair