Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 397.4 BDBM50329812

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50329812 ((Z)-N-ethyl-N-methyl-2-oxo-3-(phenyl(phenylamino)m...) Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccccc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C25H23N3O2/c1-3-28(2)25(30)18-14-15-20-21(16-18)27-24(29)22(20)23(17-10-6-4-7-11-17)26-19-12-8-5-9-13-19/h4-16,22H,3H2,1-2H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of TGFbeta receptor				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50329812 ((Z)-N-ethyl-N-methyl-2-oxo-3-(phenyl(phenylamino)m...) Show SMILES CCN(C)C(=O)c1ccc2C(C(=Nc3ccccc3)c3ccccc3)C(=O)Nc2c1 |w:12.12| Show InChI InChI=1S/C25H23N3O2/c1-3-28(2)25(30)18-14-15-20-21(16-18)27-24(29)22(20)23(17-10-6-4-7-11-17)26-19-12-8-5-9-13-19/h4-16,22H,3H2,1-2H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha				J Med Chem 53: 7287-95 (2010) Article DOI: 10.1021/jm100812a BindingDB Entry DOI: 10.7270/Q2F47PCW
					More data for this Ligand-Target Pair