Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 150.1 BDBM50177402Purchase

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))	BDBM50177402 (1-(4-hydroxy-phenyl)-propan-1-one | 1-(4-hydroxyph...) Show SMILES CCC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3				Bioorg Med Chem Lett 16: 4519-22 (2006) Article DOI: 10.1016/j.bmcl.2006.06.029 BindingDB Entry DOI: 10.7270/Q2D21X7Q
					More data for this Ligand-Target Pair
4-aminobutyrate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50177402 (1-(4-hydroxy-phenyl)-propan-1-one | 1-(4-hydroxyph...) Show SMILES CCC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3	PDB MMDB 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	1.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory activity against GABAT				Bioorg Med Chem Lett 16: 592-5 (2005) Article DOI: 10.1016/j.bmcl.2005.10.040 BindingDB Entry DOI: 10.7270/Q29G5MCH
					More data for this Ligand-Target Pair
Succinate-semialdehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50177402 (1-(4-hydroxy-phenyl)-propan-1-one | 1-(4-hydroxyph...) Show SMILES CCC(=O)c1ccc(O)cc1 Show InChI InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3	PDB MMDB 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	2.93E+5	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory activity against SSADH				Bioorg Med Chem Lett 16: 592-5 (2005) Article DOI: 10.1016/j.bmcl.2005.10.040 BindingDB Entry DOI: 10.7270/Q29G5MCH
					More data for this Ligand-Target Pair