Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50367685'   

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))	BDBM50367685 (CHEMBL4172363) Show SMILES O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cccnc1 |r,wU:11.11,wD:14.18,(23.87,-32.62,;24.64,-31.28,;26.18,-31.28,;26.95,-32.62,;28.49,-32.62,;29.26,-31.28,;30.81,-31.28,;31.58,-32.62,;30.81,-33.95,;29.26,-33.95,;23.87,-29.95,;24.64,-28.61,;23.87,-27.28,;24.64,-25.95,;26.18,-25.95,;26.95,-27.28,;26.18,-28.61,;26.95,-24.61,;28.49,-24.61,;29.26,-23.28,;30.81,-23.28,;31.58,-24.61,;30.81,-25.95,;29.26,-25.95,;33.12,-24.61,;34.66,-24.61,;22.32,-29.95,;21.56,-31.28,;20.01,-31.28,;19.24,-29.95,;20.01,-28.61,;21.56,-28.61,;17.7,-29.95,;16.93,-31.28,;15.39,-31.28,;14.61,-29.95,;15.39,-28.61,;16.93,-28.61,)| Show InChI InChI=1S/C31H30N6O/c32-19-24-8-17-30(34-21-24)36-27-11-15-29(16-12-27)37(31(38)35-20-23-5-2-1-3-6-23)28-13-9-25(10-14-28)26-7-4-18-33-22-26/h1-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,(H,34,36)(H,35,38)/t27-,29-	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair