Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.6 BDBM50209352

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50209352 (3,3-dimethyl-1-(4-(2-methyl-4-(6-morpholinopyrido[...) Show SMILES Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)CC(C)(C)C Show InChI InChI=1S/C29H38N6O3/c1-20-15-21(5-6-25(20)38-22-7-9-35(10-8-22)27(36)17-29(2,3)4)33-28-23-16-26(34-11-13-37-14-12-34)30-18-24(23)31-19-32-28/h5-6,15-16,18-19,22H,7-14,17H2,1-4H3,(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Inhibition of erbB2 expressed in Sf9 cells				Bioorg Med Chem Lett 17: 3081-6 (2007) Article DOI: 10.1016/j.bmcl.2007.03.046 BindingDB Entry DOI: 10.7270/Q2K073ZB
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