BDBM50191593 CHEMBL3967962

SMILES: O=C(Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1)\C=C\CN1CCCC1

InChI Key: InChIKey=JLWZRGNJHZVVKD-FNORWQNLSA-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 = 50191593   

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))	BDBM50191593 (CHEMBL3967962) Show SMILES O=C(Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1)\C=C\CN1CCCC1 Show InChI InChI=1S/C27H27N7O/c35-26(7-5-15-34-13-3-4-14-34)33-25-17-23-24(18-29-25)30-19-31-27(23)32-21-10-8-20(9-11-21)16-22-6-1-2-12-28-22/h1-2,5-12,17-19H,3-4,13-16H2,(H,29,33,35)(H,30,31,32)/b7-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50191593 (CHEMBL3967962) Show SMILES O=C(Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1)\C=C\CN1CCCC1 Show InChI InChI=1S/C27H27N7O/c35-26(7-5-15-34-13-3-4-14-34)33-25-17-23-24(18-29-25)30-19-31-27(23)32-21-10-8-20(9-11-21)16-22-6-1-2-12-28-22/h1-2,5-12,17-19H,3-4,13-16H2,(H,29,33,35)(H,30,31,32)/b7-5+	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	>1.00E+4	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 tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50191593 (CHEMBL3967962) Show SMILES O=C(Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1)\C=C\CN1CCCC1 Show InChI InChI=1S/C27H27N7O/c35-26(7-5-15-34-13-3-4-14-34)33-25-17-23-24(18-29-25)30-19-31-27(23)32-21-10-8-20(9-11-21)16-22-6-1-2-12-28-22/h1-2,5-12,17-19H,3-4,13-16H2,(H,29,33,35)(H,30,31,32)/b7-5+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	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
Receptor protein-tyrosine kinase erbB-4 (Homo sapiens (Human))	BDBM50191593 (CHEMBL3967962) Show SMILES O=C(Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1)\C=C\CN1CCCC1 Show InChI InChI=1S/C27H27N7O/c35-26(7-5-15-34-13-3-4-14-34)33-25-17-23-24(18-29-25)30-19-31-27(23)32-21-10-8-20(9-11-21)16-22-6-1-2-12-28-22/h1-2,5-12,17-19H,3-4,13-16H2,(H,29,33,35)(H,30,31,32)/b7-5+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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) BindingDB Entry DOI: 10.7270/Q2FF3VB3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191593 (CHEMBL3967962) Show SMILES O=C(Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1)\C=C\CN1CCCC1 Show InChI InChI=1S/C27H27N7O/c35-26(7-5-15-34-13-3-4-14-34)33-25-17-23-24(18-29-25)30-19-31-27(23)32-21-10-8-20(9-11-21)16-22-6-1-2-12-28-22/h1-2,5-12,17-19H,3-4,13-16H2,(H,29,33,35)(H,30,31,32)/b7-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	405	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