Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.6 BDBM50510924

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50510924 (CHEMBL4555892) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2CN2CCOCC2)c2ncn(CCCO)c2n1 |r,wU:1.0,wD:4.7,(19.5,-43.84,;20.83,-44.62,;22.16,-43.86,;23.49,-44.63,;23.48,-46.17,;22.15,-46.94,;20.82,-46.16,;24.81,-46.93,;26.15,-46.17,;26.15,-44.63,;27.47,-43.85,;27.47,-42.32,;28.8,-41.55,;30.13,-42.31,;31.46,-41.54,;31.45,-40,;30.11,-39.24,;28.78,-40.02,;27.45,-39.25,;27.43,-37.71,;28.77,-36.95,;28.76,-35.42,;27.42,-34.65,;26.1,-35.43,;26.1,-36.97,;28.8,-44.62,;30.27,-44.14,;31.18,-45.39,;30.27,-46.64,;30.26,-48.17,;31.58,-48.95,;32.92,-48.19,;34.25,-48.98,;28.81,-46.16,;27.47,-46.94,)| Show InChI InChI=1S/C25H36N8O2/c26-19-6-8-20(9-7-19)28-25-30-23(22-24(31-25)33(17-27-22)10-3-13-34)29-21-5-2-1-4-18(21)16-32-11-14-35-15-12-32/h1-2,4-5,17,19-20,34H,3,6-16,26H2,(H2,28,29,30,31)/t19-,20-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany Curated by ChEMBL					Assay Description Inhibition of recombinant human 3C cleavage site/N-terminal GST-His6 fused PDGFR alpha C-terminal fragment (Q551 to L1089 residues) harboring V561D m...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111663 BindingDB Entry DOI: 10.7270/Q2M90D08
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