Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 268.3 BDBM50321310

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
Calcium-dependent protein kinase 1 (Plasmodium Falciparum)	BDBM50321310 (CHEMBL4175786 | US10688093, Compound 229_0226_0284...) Show SMILES CCCNc1ccc2ncc(-c3cccc(O)c3)n2n1 Show InChI InChI=1S/C15H16N4O/c1-2-8-16-14-6-7-15-17-10-13(19(15)18-14)11-4-3-5-12(20)9-11/h3-7,9-10,20H,2,8H2,1H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant CDPK1 expressed in Escherichia coli expression system after 1 hr in presence of [gamma33P]ATP by scin...				J Med Chem 61: 8061-8077 (2018) Article DOI: 10.1021/acs.jmedchem.8b00329 BindingDB Entry DOI: 10.7270/Q24170NC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50321310 (CHEMBL4175786 | US10688093, Compound 229_0226_0284...) Show SMILES CCCNc1ccc2ncc(-c3cccc(O)c3)n2n1 Show InChI InChI=1S/C15H16N4O/c1-2-8-16-14-6-7-15-17-10-13(19(15)18-14)11-4-3-5-12(20)9-11/h3-7,9-10,20H,2,8H2,1H3,(H,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	592	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...				US Patent US10688093 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H48
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50321310 (CHEMBL4175786 | US10688093, Compound 229_0226_0284...) Show SMILES CCCNc1ccc2ncc(-c3cccc(O)c3)n2n1 Show InChI InChI=1S/C15H16N4O/c1-2-8-16-14-6-7-15-17-10-13(19(15)18-14)11-4-3-5-12(20)9-11/h3-7,9-10,20H,2,8H2,1H3,(H,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...				US Patent US10688093 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H48
					More data for this Ligand-Target Pair