Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 417.4 BDBM50549319

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50549319 (CHEMBL4778061) Show SMILES C[C@@H](Nc1ccn2ncc(NC(=O)N(C)CCN(C)C)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trk-A (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127712 BindingDB Entry DOI: 10.7270/Q2WS8XV1
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50549319 (CHEMBL4778061) Show SMILES C[C@@H](Nc1ccn2ncc(NC(=O)N(C)CCN(C)C)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trk-C (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127712 BindingDB Entry DOI: 10.7270/Q2WS8XV1
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50549319 (CHEMBL4778061) Show SMILES C[C@@H](Nc1ccn2ncc(NC(=O)N(C)CCN(C)C)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Trk-B (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127712 BindingDB Entry DOI: 10.7270/Q2WS8XV1
					More data for this Ligand-Target Pair