BDBM50315896 CHEMBL1090358::N-(3-(5-(2-(4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide

SMILES: CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1

InChI Key: InChIKey=OPHRYHXTWRJEBA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50315896   

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))	BDBM50315896 (CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...) Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of ErbB2 intracellular phosphorylation in human N87 cells by ELISA				Bioorg Med Chem Lett 20: 2452-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50315896 (CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...) Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay				Bioorg Med Chem Lett 20: 2452-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50315896 (CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...) Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of EGFR intracellular phosphorylation in human A431 cells by ELISA				Bioorg Med Chem Lett 20: 2452-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50315896 (CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...) Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay				Bioorg Med Chem Lett 20: 2452-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50315896 (CHEMBL1090358 | N-(3-(5-(2-(4-(4-ethylpiperazin-1-...) Show SMILES CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C34H30F2N8OS/c1-2-42-15-17-43(18-16-42)25-11-9-23(10-12-25)39-33-37-14-13-28(40-33)31-30(41-34-44(31)19-20-46-34)22-5-3-6-24(21-22)38-32(45)29-26(35)7-4-8-27(29)36/h3-14,19-21H,2,15-18H2,1H3,(H,38,45)(H,37,39,40)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of ErbB2 by time resolved fluorescence assay				Bioorg Med Chem Lett 20: 2452-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT
					More data for this Ligand-Target Pair