Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 490.6 BDBM50510923

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))	BDBM50510923 (CHEMBL4552829) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(20.31,-24.84,;21.64,-25.61,;22.98,-24.85,;24.3,-25.62,;24.29,-27.16,;22.97,-27.94,;21.63,-27.16,;25.63,-27.93,;26.96,-27.16,;26.96,-25.62,;28.29,-24.85,;28.29,-23.31,;29.62,-22.54,;30.95,-23.31,;32.28,-22.53,;32.28,-20.99,;30.93,-20.23,;30.92,-18.69,;32.25,-17.91,;33.58,-18.67,;34.91,-17.9,;34.91,-16.36,;33.57,-15.6,;32.23,-16.37,;29.61,-21,;29.63,-25.61,;31.09,-25.14,;32,-26.38,;31.09,-27.63,;31.57,-29.1,;30.67,-30.34,;31.57,-31.59,;33.04,-31.11,;33.04,-29.57,;29.63,-27.16,;28.3,-27.94,)| Show InChI InChI=1S/C27H38N8O/c28-20-8-10-21(11-9-20)31-27-32-25(24-26(33-27)35(18-29-24)23-6-1-2-7-23)30-22-5-3-4-19(16-22)17-34-12-14-36-15-13-34/h3-5,16,18,20-21,23H,1-2,6-15,17,28H2,(H2,30,31,32,33)/t20-,21-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	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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