Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 318.7 BDBM50503438

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

Found 4 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-2 (Homo sapiens)	BDBM50503438 (CHEMBL4466337 | US11274074, Comparative Example 6 ...) Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1cccc(F)c1 Show InChI InChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of YFP-fused ANO2 (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
Anoctamin-2 (Homo sapiens)	BDBM50503438 (CHEMBL4466337 | US11274074, Comparative Example 6 ...) Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1cccc(F)c1 Show InChI InChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	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))	BDBM50503438 (CHEMBL4466337 | US11274074, Comparative Example 6 ...) Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1cccc(F)c1 Show InChI InChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	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))	BDBM50503438 (CHEMBL4466337 | US11274074, Comparative Example 6 ...) Show SMILES Cc1cc(Cl)ccc1OCc1nnc(o1)-c1cccc(F)c1 Show InChI InChI=1S/C16H12ClFN2O2/c1-10-7-12(17)5-6-14(10)21-9-15-19-20-16(22-15)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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