Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2/G1/S-specific cyclin-E1' and Ligand = 'BDBM50521542'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50521542 (CHEMBL4453838) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCC(N)CN)nc12 Show InChI InChI=1S/C23H28N8S/c1-14(2)19-20-21(31-30-19)22(29-23(28-20)32-13-17(25)11-24)27-12-15-6-8-16(9-7-15)18-5-3-4-10-26-18/h3-10,14,17H,11-13,24-25H2,1-2H3,(H,30,31)(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany Curated by ChEMBL					Assay Description Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...				J Med Chem 62: 4606-4623 (2019) Article DOI: 10.1021/acs.jmedchem.9b00189 BindingDB Entry DOI: 10.7270/Q2G1647C
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