Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 505.6 BDBM50596645Purchase

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

Found 3 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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50596645 (CHEMBL5176691) Show SMILES NCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:20.20,wD:17.16,(-7.5,7.65,;-6.41,6.56,;-4.92,6.96,;-3.83,5.87,;-2.35,6.26,;-1.26,5.18,;.23,5.57,;.63,7.06,;1.32,4.49,;.92,3,;2,1.91,;3.49,2.31,;4.58,1.22,;4.18,-.27,;2.7,-.66,;2.3,-2.15,;.81,-2.55,;-.28,-1.46,;.12,.03,;-.97,1.12,;-2.45,.72,;-3.54,1.81,;-2.85,-.77,;-1.76,-1.86,;3.39,-3.24,;4.88,-2.84,;6.17,-3.65,;7.37,-2.69,;6.83,-1.29,;5.27,-1.36,;6.17,-5.19,;7.5,-5.96,;7.15,-7.49,;5.66,-7.65,;5.04,-6.23,;3.89,3.8,;2.8,4.89,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128603 BindingDB Entry DOI: 10.7270/Q2NC656B
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50596645 (CHEMBL5176691) Show SMILES NCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:20.20,wD:17.16,(-7.5,7.65,;-6.41,6.56,;-4.92,6.96,;-3.83,5.87,;-2.35,6.26,;-1.26,5.18,;.23,5.57,;.63,7.06,;1.32,4.49,;.92,3,;2,1.91,;3.49,2.31,;4.58,1.22,;4.18,-.27,;2.7,-.66,;2.3,-2.15,;.81,-2.55,;-.28,-1.46,;.12,.03,;-.97,1.12,;-2.45,.72,;-3.54,1.81,;-2.85,-.77,;-1.76,-1.86,;3.39,-3.24,;4.88,-2.84,;6.17,-3.65,;7.37,-2.69,;6.83,-1.29,;5.27,-1.36,;6.17,-5.19,;7.5,-5.96,;7.15,-7.49,;5.66,-7.65,;5.04,-6.23,;3.89,3.8,;2.8,4.89,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128603 BindingDB Entry DOI: 10.7270/Q2NC656B
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50596645 (CHEMBL5176691) Show SMILES NCCCCNC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1 |r,wU:20.20,wD:17.16,(-7.5,7.65,;-6.41,6.56,;-4.92,6.96,;-3.83,5.87,;-2.35,6.26,;-1.26,5.18,;.23,5.57,;.63,7.06,;1.32,4.49,;.92,3,;2,1.91,;3.49,2.31,;4.58,1.22,;4.18,-.27,;2.7,-.66,;2.3,-2.15,;.81,-2.55,;-.28,-1.46,;.12,.03,;-.97,1.12,;-2.45,.72,;-3.54,1.81,;-2.85,-.77,;-1.76,-1.86,;3.39,-3.24,;4.88,-2.84,;6.17,-3.65,;7.37,-2.69,;6.83,-1.29,;5.27,-1.36,;6.17,-5.19,;7.5,-5.96,;7.15,-7.49,;5.66,-7.65,;5.04,-6.23,;3.89,3.8,;2.8,4.89,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128603 BindingDB Entry DOI: 10.7270/Q2NC656B
					More data for this Ligand-Target Pair