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SMILES: CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO

InChI Key: InChIKey=JESHQJYUKOEMIP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50154926   

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/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154926 (CHEMBL3774979) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154926 (CHEMBL3774979) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair