BDBM50293688 CHEMBL556460::tert-butyl 4-(4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-ylthio)phenylcarbamate

SMILES: Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1

InChI Key: InChIKey=VAKWGLDYQAWDPS-UHFFFAOYSA-N

Data: 4 KI

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 = 50293688   

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
Aurora kinase A (Homo sapiens (Human))	BDBM50293688 (CHEMBL556460 | tert-butyl 4-(4-(5-methyl-1H-pyrazo...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C23H24N6O2S/c1-14-13-19(29-28-14)26-20-17-7-5-6-8-18(17)25-21(27-20)32-16-11-9-15(10-12-16)24-22(30)31-23(2,3)4/h5-13H,1-4H3,(H,24,30)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	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
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50293688 (CHEMBL556460 | tert-butyl 4-(4-(5-methyl-1H-pyrazo...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C23H24N6O2S/c1-14-13-19(29-28-14)26-20-17-7-5-6-8-18(17)25-21(27-20)32-16-11-9-15(10-12-16)24-22(30)31-23(2,3)4/h5-13H,1-4H3,(H,24,30)(H2,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	250	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-B				Bioorg Med Chem Lett 19: 3586-92 (2009) Article DOI: 10.1016/j.bmcl.2009.04.136 BindingDB Entry DOI: 10.7270/Q28K7944
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50293688 (CHEMBL556460 | tert-butyl 4-(4-(5-methyl-1H-pyrazo...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C23H24N6O2S/c1-14-13-19(29-28-14)26-20-17-7-5-6-8-18(17)25-21(27-20)32-16-11-9-15(10-12-16)24-22(30)31-23(2,3)4/h5-13H,1-4H3,(H,24,30)(H2,25,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+3	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
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50293688 (CHEMBL556460 | tert-butyl 4-(4-(5-methyl-1H-pyrazo...) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1 Show InChI InChI=1S/C23H24N6O2S/c1-14-13-19(29-28-14)26-20-17-7-5-6-8-18(17)25-21(27-20)32-16-11-9-15(10-12-16)24-22(30)31-23(2,3)4/h5-13H,1-4H3,(H,24,30)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.00E+3	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
					More data for this Ligand-Target Pair