BDBM50468492 CHEMBL4291471

SMILES: CC(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1

InChI Key: InChIKey=ZTYNNPMPRUWCIF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50468492   

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))	BDBM50468492 (CHEMBL4291471) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C27H18ClF3N4O2S/c1-15(36)34-18-7-5-16(6-8-18)24-13-21-25(32-14-33-26(21)38-24)35-19-9-10-23(22(28)12-19)37-20-4-2-3-17(11-20)27(29,30)31/h2-14H,1H3,(H,34,36)(H,32,33,35)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	879	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))	BDBM50468492 (CHEMBL4291471) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C27H18ClF3N4O2S/c1-15(36)34-18-7-5-16(6-8-18)24-13-21-25(32-14-33-26(21)38-24)35-19-9-10-23(22(28)12-19)37-20-4-2-3-17(11-20)27(29,30)31/h2-14H,1H3,(H,34,36)(H,32,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	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