null

SMILES: CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1

InChI Key: InChIKey=RSEKNDZBPQNPGL-JXMROGBWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50191497   

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))	BDBM50191497 (CHEMBL3921129) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1 Show InChI InChI=1S/C33H36N8O2/c1-3-43-31-20-28-27(19-29(31)38-32(42)10-7-13-40-16-14-39(2)15-17-40)33(35-23-34-28)37-26-11-12-30-25(18-26)21-36-41(30)22-24-8-5-4-6-9-24/h4-12,18-21,23H,3,13-17,22H2,1-2H3,(H,38,42)(H,34,35,37)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50191497 (CHEMBL3921129) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1 Show InChI InChI=1S/C33H36N8O2/c1-3-43-31-20-28-27(19-29(31)38-32(42)10-7-13-40-16-14-39(2)15-17-40)33(35-23-34-28)37-26-11-12-30-25(18-26)21-36-41(30)22-24-8-5-4-6-9-24/h4-12,18-21,23H,3,13-17,22H2,1-2H3,(H,38,42)(H,34,35,37)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB2 (unknown origin) (Ile-675 to Val-1256 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50191497 (CHEMBL3921129) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1 Show InChI InChI=1S/C33H36N8O2/c1-3-43-31-20-28-27(19-29(31)38-32(42)10-7-13-40-16-14-39(2)15-17-40)33(35-23-34-28)37-26-11-12-30-25(18-26)21-36-41(30)22-24-8-5-4-6-9-24/h4-12,18-21,23H,3,13-17,22H2,1-2H3,(H,38,42)(H,34,35,37)/b10-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of human recombinant GST-tagged JAK3 expressed in baculovirus infected Sf9 insect cells assessed as reduction in polyglutamic...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50191497 (CHEMBL3921129) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1 Show InChI InChI=1S/C33H36N8O2/c1-3-43-31-20-28-27(19-29(31)38-32(42)10-7-13-40-16-14-39(2)15-17-40)33(35-23-34-28)37-26-11-12-30-25(18-26)21-36-41(30)22-24-8-5-4-6-9-24/h4-12,18-21,23H,3,13-17,22H2,1-2H3,(H,38,42)(H,34,35,37)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assesse...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191497 (CHEMBL3921129) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1CCN(C)CC1 Show InChI InChI=1S/C33H36N8O2/c1-3-43-31-20-28-27(19-29(31)38-32(42)10-7-13-40-16-14-39(2)15-17-40)33(35-23-34-28)37-26-11-12-30-25(18-26)21-36-41(30)22-24-8-5-4-6-9-24/h4-12,18-21,23H,3,13-17,22H2,1-2H3,(H,38,42)(H,34,35,37)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair