BindingDB PrimarySearch

null

SMILES: Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1

InChI Key: InChIKey=JYCUVOXSZBECAY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50162083
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Gsk3beta				J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Glycogen synthase kinase-3				J Med Chem 48: 1278-81 (2005) Article DOI: 10.1021/jm0492249 BindingDB Entry DOI: 10.7270/Q2X92F1P
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Aurora-A by coupled assay				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					Assay Description Inhibition of Src				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
Vertex Pharmaceuticals (Europe) Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Src				J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	858	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin) using FAM-labelled peptide as substrate pretreated for 10 mins followed by substrate addition and measured af...				Eur J Med Chem 157: 1361-1375 (2018) Article DOI: 10.1016/j.ejmech.2018.08.053 BindingDB Entry DOI: 10.7270/Q2CF9SSR
Sun Yat-sen University Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labelled peptide as substrate pretreated for 10 mins followed by substrate addition and measured af...				Eur J Med Chem 157: 1361-1375 (2018) Article DOI: 10.1016/j.ejmech.2018.08.053 BindingDB Entry DOI: 10.7270/Q2CF9SSR
Sun Yat-sen University Curated by ChEMBL					More data for this Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Cornell Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay				Bioorg Med Chem Lett 21: 4108-14 (2011) Article DOI: 10.1016/j.bmcl.2011.04.149 BindingDB Entry DOI: 10.7270/Q2KK9C4H
Weill Cornell Medical College Curated by ChEMBL					More data for this Ligand-Target Pair