Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A1/Cyclin-dependent kinase 2' and Ligand = 'BDBM50539911'   

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))	BDBM50539911 (CHEMBL4644198) Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)c(F)c3)s2)o1 |r| Show InChI InChI=1S/C26H30FN5O3S2/c1-5-21(33)31-19-9-8-16(11-18(19)27)24(34)32-10-6-7-17(14-32)30-25-29-13-23(37-25)36-15-22-28-12-20(35-22)26(2,3)4/h5,8-9,11-13,17H,1,6-7,10,14-15H2,2-4H3,(H,29,30)(H,31,33)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged CDK2/cyclinA1 expressed in baculovirus infected Sf9 insect cells using FRET-labeled...				J Med Chem 63: 6708-6726 (2020) Article DOI: 10.1021/acs.jmedchem.9b01929 BindingDB Entry DOI: 10.7270/Q25M698Z
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