Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 295.7 BDBM299368

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))	BDBM299368 (6-(3-chloro- phenyl)-N- cyclopropyl- quinazolin-4-...) Show SMILES Clc1cccc(c1)-c1ccc2ncnc(NC3CC3)c2c1 Show InChI InChI=1S/C17H14ClN3/c18-13-3-1-2-11(8-13)12-4-7-16-15(9-12)17(20-10-19-16)21-14-5-6-14/h1-4,7-10,14H,5-6H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	646	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))	BDBM299368 (6-(3-chloro- phenyl)-N- cyclopropyl- quinazolin-4-...) Show SMILES Clc1cccc(c1)-c1ccc2ncnc(NC3CC3)c2c1 Show InChI InChI=1S/C17H14ClN3/c18-13-3-1-2-11(8-13)12-4-7-16-15(9-12)17(20-10-19-16)21-14-5-6-14/h1-4,7-10,14H,5-6H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	646	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