Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 391.3 BDBM409944

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
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM409944 (US10370333, Example XII-19) Show SMILES COc1ccc(OC(F)(F)F)cc1S(=O)(=O)Nc1cncc(c1)C(N)=O Show InChI InChI=1S/C14H12F3N3O5S/c1-24-11-3-2-10(25-14(15,16)17)5-12(11)26(22,23)20-9-4-8(13(18)21)6-19-7-9/h2-7,20H,1H3,(H2,18,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
SANFORD-BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE US Patent					Assay Description To determine the inhibition selectivity for inhibitor candidates, human TNAP, PLAP or IAP were added to microtiter plates followed by addition of the...				US Patent US10370333 (2019) BindingDB Entry DOI: 10.7270/Q2445PVM
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM409944 (US10370333, Example XII-19) Show SMILES COc1ccc(OC(F)(F)F)cc1S(=O)(=O)Nc1cncc(c1)C(N)=O Show InChI InChI=1S/C14H12F3N3O5S/c1-24-11-3-2-10(25-14(15,16)17)5-12(11)26(22,23)20-9-4-8(13(18)21)6-19-7-9/h2-7,20H,1H3,(H2,18,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Inhibition of TNAP (unknown origin) using PPi as substrate				Bioorg Med Chem Lett 28: 31-34 (2018) Article DOI: 10.1016/j.bmcl.2017.11.024 BindingDB Entry DOI: 10.7270/Q2PZ5CD9
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM409944 (US10370333, Example XII-19) Show SMILES COc1ccc(OC(F)(F)F)cc1S(=O)(=O)Nc1cncc(c1)C(N)=O Show InChI InChI=1S/C14H12F3N3O5S/c1-24-11-3-2-10(25-14(15,16)17)5-12(11)26(22,23)20-9-4-8(13(18)21)6-19-7-9/h2-7,20H,1H3,(H2,18,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Inhibition of TNAP (unknown origin) in whole blood using pNPP as substrate				Bioorg Med Chem Lett 28: 31-34 (2018) Article DOI: 10.1016/j.bmcl.2017.11.024 BindingDB Entry DOI: 10.7270/Q2PZ5CD9
					More data for this Ligand-Target Pair