BDBM50208401 5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)pyrrolo[1,2-f][1,2,4]triazin-4-amine::CHEMBL392273

SMILES: Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1

InChI Key: InChIKey=ZMUYXYMWLSIFRR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50208401   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50208401 (5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human EGFR				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50208401 (5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50208401 (5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 4947-54 (2007) Article DOI: 10.1016/j.bmcl.2007.06.019 BindingDB Entry DOI: 10.7270/Q22R3RC0
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50208401 (5-((1,4-diazepan-1-yl)methyl)-N-(1-(3-fluorobenzyl...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H27FN8/c27-22-4-1-3-19(13-22)16-35-24-6-5-23(14-21(24)15-30-35)32-26-25-20(7-11-34(25)31-18-29-26)17-33-10-2-8-28-9-12-33/h1,3-7,11,13-15,18,28H,2,8-10,12,16-17H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human HER2				Bioorg Med Chem Lett 17: 2828-33 (2007) Article DOI: 10.1016/j.bmcl.2007.02.050 BindingDB Entry DOI: 10.7270/Q2TM79SZ
					More data for this Ligand-Target Pair