BDBM50272881 2-(4-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-aminopyrimidin-5-yl)methyleneamino)piperazin-1-yl)ethanol::CHEMBL514566

SMILES: Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1

InChI Key: InChIKey=QHAHIGAQWUSAND-FJEPWZHXSA-N

Data: 3 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 3 hits for monomerid = 50272881   

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))	BDBM50272881 (2-(4-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...) Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1 Show InChI InChI=1S/C25H28FN9O/c26-20-3-1-2-18(12-20)16-35-23-5-4-21(13-19(23)14-31-35)32-25-22(24(27)28-17-29-25)15-30-34-8-6-33(7-9-34)10-11-36/h1-5,12-15,17,36H,6-11,16H2,(H3,27,28,29,32)/b30-15+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ErbB2				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50272881 (2-(4-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...) Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1 Show InChI InChI=1S/C25H28FN9O/c26-20-3-1-2-18(12-20)16-35-23-5-4-21(13-19(23)14-31-35)32-25-22(24(27)28-17-29-25)15-30-34-8-6-33(7-9-34)10-11-36/h1-5,12-15,17,36H,6-11,16H2,(H3,27,28,29,32)/b30-15+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human ErB2 phosphorylation in human SKBR3 cells				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50272881 (2-(4-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...) Show SMILES Nc1ncnc(Nc2ccc3n(Cc4cccc(F)c4)ncc3c2)c1\C=N\N1CCN(CCO)CC1 Show InChI InChI=1S/C25H28FN9O/c26-20-3-1-2-18(12-20)16-35-23-5-4-21(13-19(23)14-31-35)32-25-22(24(27)28-17-29-25)15-30-34-8-6-33(7-9-34)10-11-36/h1-5,12-15,17,36H,6-11,16H2,(H3,27,28,29,32)/b30-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human EGFR expressed in SF9 cells				Bioorg Med Chem Lett 18: 4615-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.020 BindingDB Entry DOI: 10.7270/Q2XD11HN
					More data for this Ligand-Target Pair