BDBM50247431 CHEMBL461739::N-Benzyl-8-isopopyl-9-oxo-8,9-dihydro[1,3]thiazolo[5,4-f]quinazoline-2-carboxamidine

SMILES: CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1

InChI Key: InChIKey=AETSHOXDYIPJJZ-UHFFFAOYSA-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 = 50247431   

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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50247431 (CHEMBL461739 | N-Benzyl-8-isopopyl-9-oxo-8,9-dihyd...) Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1 Show InChI InChI=1S/C20H19N5OS/c1-12(2)25-11-23-14-8-9-15-17(16(14)20(25)26)27-19(24-15)18(21)22-10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB (unknown origin)				Eur J Med Chem 43: 1469-77 (2008) Article DOI: 10.1016/j.ejmech.2007.09.020 BindingDB Entry DOI: 10.7270/Q24M9495
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50247431 (CHEMBL461739 | N-Benzyl-8-isopopyl-9-oxo-8,9-dihyd...) Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1 Show InChI InChI=1S/C20H19N5OS/c1-12(2)25-11-23-14-8-9-15-17(16(14)20(25)26)27-19(24-15)18(21)22-10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Eur J Med Chem 43: 1469-77 (2008) Article DOI: 10.1016/j.ejmech.2007.09.020 BindingDB Entry DOI: 10.7270/Q24M9495
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50247431 (CHEMBL461739 | N-Benzyl-8-isopopyl-9-oxo-8,9-dihyd...) Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1 Show InChI InChI=1S/C20H19N5OS/c1-12(2)25-11-23-14-8-9-15-17(16(14)20(25)26)27-19(24-15)18(21)22-10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of GSK3alpha/beta (unknown origin)				Eur J Med Chem 43: 1469-77 (2008) Article DOI: 10.1016/j.ejmech.2007.09.020 BindingDB Entry DOI: 10.7270/Q24M9495
					More data for this Ligand-Target Pair
Cyclin-dependent-like kinase 5 (Homo sapiens (Human))	BDBM50247431 (CHEMBL461739 | N-Benzyl-8-isopopyl-9-oxo-8,9-dihyd...) Show SMILES CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1 Show InChI InChI=1S/C20H19N5OS/c1-12(2)25-11-23-14-8-9-15-17(16(14)20(25)26)27-19(24-15)18(21)22-10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nantes Curated by ChEMBL					Assay Description Inhibition of CDK5/p25 (unknown origin)				Eur J Med Chem 43: 1469-77 (2008) Article DOI: 10.1016/j.ejmech.2007.09.020 BindingDB Entry DOI: 10.7270/Q24M9495
					More data for this Ligand-Target Pair