Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 371.4 BDBM50212038

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50212038 (2-(3-(morpholinomethyl)phenylamino)-4-phenylpyrimi...) Show SMILES N#Cc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1-c1ccccc1 Show InChI InChI=1S/C22H21N5O/c23-14-19-15-24-22(26-21(19)18-6-2-1-3-7-18)25-20-8-4-5-17(13-20)16-27-9-11-28-12-10-27/h1-8,13,15H,9-12,16H2,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of VEGFR2 activity				Bioorg Med Chem Lett 17: 3266-70 (2007) Article DOI: 10.1016/j.bmcl.2007.04.021 BindingDB Entry DOI: 10.7270/Q2GQ6XFG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50212038 (2-(3-(morpholinomethyl)phenylamino)-4-phenylpyrimi...) Show SMILES N#Cc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1-c1ccccc1 Show InChI InChI=1S/C22H21N5O/c23-14-19-15-24-22(26-21(19)18-6-2-1-3-7-18)25-20-8-4-5-17(13-20)16-27-9-11-28-12-10-27/h1-8,13,15H,9-12,16H2,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK1 activity				Bioorg Med Chem Lett 17: 3266-70 (2007) Article DOI: 10.1016/j.bmcl.2007.04.021 BindingDB Entry DOI: 10.7270/Q2GQ6XFG
					More data for this Ligand-Target Pair