Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 346.3 BDBM299417

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
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM299417 (N-[3-(4-amino- quinazolin-6-yl) phenyl]-3,3,3- tri...) Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CC(F)(F)F)c1 Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)8-15(25)24-12-3-1-2-10(6-12)11-4-5-14-13(7-11)16(21)23-9-22-14/h1-7,9H,8H2,(H,24,25)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...				J Med Chem 46: 3709-27 (2003) BindingDB Entry DOI: 10.7270/Q2VH5R4B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM299417 (N-[3-(4-amino- quinazolin-6-yl) phenyl]-3,3,3- tri...) Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)CC(F)(F)F)c1 Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)8-15(25)24-12-3-1-2-10(6-12)11-4-5-14-13(7-11)16(21)23-9-22-14/h1-7,9H,8H2,(H,24,25)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...				US Patent US9592235 (2017) BindingDB Entry DOI: 10.7270/Q2VX0JKX
					More data for this Ligand-Target Pair