BDBM50191485 CHEMBL3914227

SMILES: CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CCC[C@H]1C

InChI Key: InChIKey=AEBKFOMFJMJUFH-VPGRUKGMSA-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 = 50191485   

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))	BDBM50191485 (CHEMBL3914227) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CCC[C@H]1C |r| Show InChI InChI=1S/C35H39N7O2/c1-4-44-33-20-30-29(19-31(33)40-34(43)14-9-17-41-24(2)10-8-11-25(41)3)35(37-23-36-30)39-28-15-16-32-27(18-28)21-38-42(32)22-26-12-6-5-7-13-26/h5-7,9,12-16,18-21,23-25H,4,8,10-11,17,22H2,1-3H3,(H,40,43)(H,36,37,39)/b14-9+/t24-,25+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	128	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) BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191485 (CHEMBL3914227) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CCC[C@H]1C |r| Show InChI InChI=1S/C35H39N7O2/c1-4-44-33-20-30-29(19-31(33)40-34(43)14-9-17-41-24(2)10-8-11-25(41)3)35(37-23-36-30)39-28-15-16-32-27(18-28)21-38-42(32)22-26-12-6-5-7-13-26/h5-7,9,12-16,18-21,23-25H,4,8,10-11,17,22H2,1-3H3,(H,40,43)(H,36,37,39)/b14-9+/t24-,25+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	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) BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191485 (CHEMBL3914227) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CCC[C@H]1C |r| Show InChI InChI=1S/C35H39N7O2/c1-4-44-33-20-30-29(19-31(33)40-34(43)14-9-17-41-24(2)10-8-11-25(41)3)35(37-23-36-30)39-28-15-16-32-27(18-28)21-38-42(32)22-26-12-6-5-7-13-26/h5-7,9,12-16,18-21,23-25H,4,8,10-11,17,22H2,1-3H3,(H,40,43)(H,36,37,39)/b14-9+/t24-,25+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	79	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) BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50191485 (CHEMBL3914227) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CCC[C@H]1C |r| Show InChI InChI=1S/C35H39N7O2/c1-4-44-33-20-30-29(19-31(33)40-34(43)14-9-17-41-24(2)10-8-11-25(41)3)35(37-23-36-30)39-28-15-16-32-27(18-28)21-38-42(32)22-26-12-6-5-7-13-26/h5-7,9,12-16,18-21,23-25H,4,8,10-11,17,22H2,1-3H3,(H,40,43)(H,36,37,39)/b14-9+/t24-,25+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.67E+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) BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4 (Homo sapiens (Human))	BDBM50191485 (CHEMBL3914227) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CCC[C@H]1C |r| Show InChI InChI=1S/C35H39N7O2/c1-4-44-33-20-30-29(19-31(33)40-34(43)14-9-17-41-24(2)10-8-11-25(41)3)35(37-23-36-30)39-28-15-16-32-27(18-28)21-38-42(32)22-26-12-6-5-7-13-26/h5-7,9,12-16,18-21,23-25H,4,8,10-11,17,22H2,1-3H3,(H,40,43)(H,36,37,39)/b14-9+/t24-,25+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	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) BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair