Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.7 BDBM50503455Purchase

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

Found 2 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
Anoctamin-1 (Homo sapiens (Human))	BDBM50503455 (CHEMBL4448175 | US11274074, Example 5 [Chemical Fo...) Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1C(F)(F)F Show InChI InChI=1S/C17H14ClF3N2O2/c1-11-8-13(18)6-7-15(11)25-10-16(24)23-22-9-12-4-2-3-5-14(12)17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The method for inhibiting the expression of ANO1 (TMEM16A) of the present disclosure includes a step of inhibiting the expression of ANO1 (TMEM16A) i...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GT5RDM
					More data for this Ligand-Target Pair
Anoctamin-1 (Homo sapiens (Human))	BDBM50503455 (CHEMBL4448175 | US11274074, Example 5 [Chemical Fo...) Show SMILES Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1C(F)(F)F Show InChI InChI=1S/C17H14ClF3N2O2/c1-11-8-13(18)6-7-15(11)25-10-16(24)23-22-9-12-4-2-3-5-14(12)17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of YFP-fused ANO1 (unknown origin) expressed in FRT cells after 20 mins by fluorescence quenching method				Eur J Med Chem 160: 245-255 (2018) Article DOI: 10.1016/j.ejmech.2018.10.002 BindingDB Entry DOI: 10.7270/Q24T6NMB
					More data for this Ligand-Target Pair