BDBM50191644 CHEMBL3969056

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

InChI Key: InChIKey=JABKEJXCSLSSEV-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 = 50191644   

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 protein-tyrosine kinase erbB-4 (Homo sapiens (Human))	BDBM50191644 (CHEMBL3969056) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1 Show InChI InChI=1S/C25H25N7O/c1-32(2)13-5-7-24(33)31-23-15-21-22(16-27-23)28-17-29-25(21)30-19-10-8-18(9-11-19)14-20-6-3-4-12-26-20/h3-12,15-17H,13-14H2,1-2H3,(H,27,31,33)(H,28,29,30)/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))	BDBM50191644 (CHEMBL3969056) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1 Show InChI InChI=1S/C25H25N7O/c1-32(2)13-5-7-24(33)31-23-15-21-22(16-27-23)28-17-29-25(21)30-19-10-8-18(9-11-19)14-20-6-3-4-12-26-20/h3-12,15-17H,13-14H2,1-2H3,(H,27,31,33)(H,28,29,30)/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	304	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191644 (CHEMBL3969056) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1 Show InChI InChI=1S/C25H25N7O/c1-32(2)13-5-7-24(33)31-23-15-21-22(16-27-23)28-17-29-25(21)30-19-10-8-18(9-11-19)14-20-6-3-4-12-26-20/h3-12,15-17H,13-14H2,1-2H3,(H,27,31,33)(H,28,29,30)/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))	BDBM50191644 (CHEMBL3969056) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1 Show InChI InChI=1S/C25H25N7O/c1-32(2)13-5-7-24(33)31-23-15-21-22(16-27-23)28-17-29-25(21)30-19-10-8-18(9-11-19)14-20-6-3-4-12-26-20/h3-12,15-17H,13-14H2,1-2H3,(H,27,31,33)(H,28,29,30)/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))	BDBM50191644 (CHEMBL3969056) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1 Show InChI InChI=1S/C25H25N7O/c1-32(2)13-5-7-24(33)31-23-15-21-22(16-27-23)28-17-29-25(21)30-19-10-8-18(9-11-19)14-20-6-3-4-12-26-20/h3-12,15-17H,13-14H2,1-2H3,(H,27,31,33)(H,28,29,30)/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	11	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