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/G1/S-specific cyclin-E2' and Ligand = 'BDBM50299140'   

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/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50299140 ((S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrro...) Show SMILES O=C(Nc1ccccc1)[C@@H]1CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1 |r| Show InChI InChI=1S/C23H24N8O/c32-22(24-16-6-2-1-3-7-16)19-9-4-12-30(19)23-26-21(18-8-5-13-31(18)29-23)25-20-14-17(27-28-20)15-10-11-15/h1-3,5-8,13-15,19H,4,9-12H2,(H,24,32)(H2,25,26,27,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	322	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E after 60 mins by fluorescence electrophoresis				J Med Chem 52: 7360-3 (2009) Article DOI: 10.1021/jm900786r BindingDB Entry DOI: 10.7270/Q2P27022
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