BDBM110193 1-(3,5-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone (20)

SMILES: Oc1cc(O)cc(c1)C(=O)\C=C\c1cccs1

InChI Key: InChIKey=FVJBMVYFGKPNHV-ONEGZZNKSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 110193   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calpain1 (Homo sapiens (Human))	BDBM110193 (1-(3,5-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone...) Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1cccs1 Show InChI InChI=1S/C13H10O3S/c14-10-6-9(7-11(15)8-10)13(16)4-3-12-2-1-5-17-12/h1-8,14-15H/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of µ-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 50 mM NaCl, 1 mM EDTA, 1 mM EGTA and 5 mM β-mercaptoethanol, pH...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM110193 (1-(3,5-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone...) Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1cccs1 Show InChI InChI=1S/C13H10O3S/c14-10-6-9(7-11(15)8-10)13(16)4-3-12-2-1-5-17-12/h1-8,14-15H/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% β-mercaptoethanol, pH 5.5) containing 20 µM subst...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM110193 (1-(3,5-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone...) Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1cccs1 Show InChI InChI=1S/C13H10O3S/c14-10-6-9(7-11(15)8-10)13(16)4-3-12-2-1-5-17-12/h1-8,14-15H/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	5.5	37
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 µM substrate an...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair
Calpain-2 (m-Calpain) (Homo sapiens (Human))	BDBM110193 (1-(3,5-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone...) Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1cccs1 Show InChI InChI=1S/C13H10O3S/c14-10-6-9(7-11(15)8-10)13(16)4-3-12-2-1-5-17-12/h1-8,14-15H/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	25
Ewha Womans University, Seoul 120-750, Republic of Korea.					Assay Description Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...				Bioorg Chem 51: 24-30 (2013) Article DOI: 10.1016/j.bioorg.2013.09.002 BindingDB Entry DOI: 10.7270/Q2NP233R
					More data for this Ligand-Target Pair