Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A1/Cyclin-dependent kinase 2' and Ligand = 'BDBM50270337'   

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-A1/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50270337 (CHEMBL4075466) Show SMILES COc1ccc2ncnc(Nc3c[nH]nc3C(=O)Nc3ccc(CN4CCOCC4)cc3)c2c1 Show InChI InChI=1S/C24H25N7O3/c1-33-18-6-7-20-19(12-18)23(26-15-25-20)29-21-13-27-30-22(21)24(32)28-17-4-2-16(3-5-17)14-31-8-10-34-11-9-31/h2-7,12-13,15H,8-11,14H2,1H3,(H,27,30)(H,28,32)(H,25,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
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