BDBM50246415 CHEMBL454645::N-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)-6-methylpiperidine-3-carboxamide

SMILES: CC1CCC(CN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1

InChI Key: InChIKey=QALGDBRHRSNPSF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50246415   

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 2 (Homo sapiens (Human))	BDBM50246415 (CHEMBL454645 | N-(5-((5-tert-butyloxazol-2-yl)meth...) Show SMILES CC1CCC(CN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C18H26N4O2S2/c1-11-5-6-12(7-19-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50246415 (CHEMBL454645 | N-(5-((5-tert-butyloxazol-2-yl)meth...) Show SMILES CC1CCC(CN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C18H26N4O2S2/c1-11-5-6-12(7-19-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)	PDB MMDB 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	370	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK9-mediated RNA pol 2 phosphorylation at ser2 in human HCT116 cells after 16 hrs by HCS assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					More data for this Ligand-Target Pair