BDBM5721 2-aminothiazole 3::N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-(pyridin-3-yl)acetamide

SMILES: CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1

InChI Key: InChIKey=VBDQMJNIWDFAKI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 5721   

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 (CDK1) (Homo sapiens (Human))	BDBM5721 (2-aminothiazole 3 | N-(5-{[(5-tert-butyl-1,3-oxazo...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1 Show InChI InChI=1S/C18H20N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)7-12-5-4-6-19-8-12/h4-6,8-10H,7,11H2,1-3H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM5721 (2-aminothiazole 3 | N-(5-{[(5-tert-butyl-1,3-oxazo...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1 Show InChI InChI=1S/C18H20N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)7-12-5-4-6-19-8-12/h4-6,8-10H,7,11H2,1-3H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM5721 (2-aminothiazole 3 | N-(5-{[(5-tert-butyl-1,3-oxazo...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1 Show InChI InChI=1S/C18H20N4O2S2/c1-18(2,3)13-9-20-15(24-13)11-25-16-10-21-17(26-16)22-14(23)7-12-5-4-6-19-8-12/h4-6,8-10H,7,11H2,1-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				Bioorg Med Chem Lett 14: 2973-7 (2004) Article DOI: 10.1016/j.bmcl.2004.02.105 BindingDB Entry DOI: 10.7270/Q27942WW
					More data for this Ligand-Target Pair