BDBM50191645 CHEMBL3971413

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

InChI Key: InChIKey=WJGBEIOIHHBCIV-RRSRKQOQSA-N

Data: 4 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 4 hits for monomerid = 50191645   

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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50191645 (CHEMBL3971413) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CNC[C@H]1C |r| Show InChI InChI=1S/C34H38N8O2/c1-4-44-32-17-29-28(16-30(32)40-33(43)11-8-14-41-23(2)18-35-19-24(41)3)34(37-22-36-29)39-27-12-13-31-26(15-27)20-38-42(31)21-25-9-6-5-7-10-25/h5-13,15-17,20,22-24,35H,4,14,18-19,21H2,1-3H3,(H,40,43)(H,36,37,39)/b11-8+/t23-,24+	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	8.88E+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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50191645 (CHEMBL3971413) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CNC[C@H]1C |r| Show InChI InChI=1S/C34H38N8O2/c1-4-44-32-17-29-28(16-30(32)40-33(43)11-8-14-41-23(2)18-35-19-24(41)3)34(37-22-36-29)39-27-12-13-31-26(15-27)20-38-42(31)21-25-9-6-5-7-10-25/h5-13,15-17,20,22-24,35H,4,14,18-19,21H2,1-3H3,(H,40,43)(H,36,37,39)/b11-8+/t23-,24+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50191645 (CHEMBL3971413) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CNC[C@H]1C |r| Show InChI InChI=1S/C34H38N8O2/c1-4-44-32-17-29-28(16-30(32)40-33(43)11-8-14-41-23(2)18-35-19-24(41)3)34(37-22-36-29)39-27-12-13-31-26(15-27)20-38-42(31)21-25-9-6-5-7-10-25/h5-13,15-17,20,22-24,35H,4,14,18-19,21H2,1-3H3,(H,40,43)(H,36,37,39)/b11-8+/t23-,24+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	198	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))	BDBM50191645 (CHEMBL3971413) Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2cc1NC(=O)\C=C\CN1[C@@H](C)CNC[C@H]1C |r| Show InChI InChI=1S/C34H38N8O2/c1-4-44-32-17-29-28(16-30(32)40-33(43)11-8-14-41-23(2)18-35-19-24(41)3)34(37-22-36-29)39-27-12-13-31-26(15-27)20-38-42(31)21-25-9-6-5-7-10-25/h5-13,15-17,20,22-24,35H,4,14,18-19,21H2,1-3H3,(H,40,43)(H,36,37,39)/b11-8+/t23-,24+	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