Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50263031'   

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-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263031 (CHEMBL4105395) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccc(Cl)cc1)cc2=O |r| Show InChI InChI=1S/C23H22ClNO5/c1-25-9-8-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)7-4-13-2-5-14(24)6-3-13/h2-7,10-11,16,20,27-29H,8-9,12H2,1H3/b7-4+/t16-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India. Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP by filter binding assay				J Med Chem 61: 1664-1687 (2018) Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4
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