BDBM50468493 CHEMBL4286733

SMILES: FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4sc(cc34)-c3ccc(NC(=O)NC4CC4)cc3)cc2Cl)c1

InChI Key: InChIKey=LWORINFAHRPALE-UHFFFAOYSA-N

Data: 2 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50468493   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50468493 (CHEMBL4286733) Show SMILES FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4sc(cc34)-c3ccc(NC(=O)NC4CC4)cc3)cc2Cl)c1 Show InChI InChI=1S/C29H21ClF3N5O2S/c30-23-13-20(10-11-24(23)40-21-3-1-2-17(12-21)29(31,32)33)36-26-22-14-25(41-27(22)35-15-34-26)16-4-6-18(7-5-16)37-28(39)38-19-8-9-19/h1-7,10-15,19H,8-9H2,(H,34,35,36)(H2,37,38,39)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ain Shams University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HER2 (679 to 1255 residues) expressed in baculovirus infected Sf9 cells using Poly-(Glu, Tyr) a...				Eur J Med Chem 155: 316-336 (2018) Article DOI: 10.1016/j.ejmech.2018.06.011 BindingDB Entry DOI: 10.7270/Q2K93B6Z
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50468493 (CHEMBL4286733) Show SMILES FC(F)(F)c1cccc(Oc2ccc(Nc3ncnc4sc(cc34)-c3ccc(NC(=O)NC4CC4)cc3)cc2Cl)c1 Show InChI InChI=1S/C29H21ClF3N5O2S/c30-23-13-20(10-11-24(23)40-21-3-1-2-17(12-21)29(31,32)33)36-26-22-14-25(41-27(22)35-15-34-26)16-4-6-18(7-5-16)37-28(39)38-19-8-9-19/h1-7,10-15,19H,8-9H2,(H,34,35,36)(H2,37,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Ain Shams University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells u...				Eur J Med Chem 155: 316-336 (2018) Article DOI: 10.1016/j.ejmech.2018.06.011 BindingDB Entry DOI: 10.7270/Q2K93B6Z
					More data for this Ligand-Target Pair