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 = 'BDBM162145'   

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))	BDBM162145 (US9682995, 49) Show SMILES CN(C)C(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)s1 Show InChI InChI=1S/C17H15F2N5O2S2/c1-8-13(14(25)21-9-4-5-10(18)11(19)6-9)15(28-23-8)22-17-20-7-12(27-17)16(26)24(2)3/h4-7H,1-3H3,(H,20,22)(H,21,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally His6-tagged recombinant catalytic domain of human Bub1 (amino acids 704-1085), expressed in insect cells (Hi5) and purified by Ni-NTA af...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
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