Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM50444927'   

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 (Homo sapiens (Human))	BDBM50444927 (CHEMBL3099744) Show SMILES COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H23F3N2O6/c1-39-20-9-6-16(7-10-20)12-25(28(38)40-2)34-26(35)24-15-22(27(36)37)21-14-18(8-11-23(21)33-24)17-4-3-5-19(13-17)29(30,31)32/h3-11,13-15,25H,12H2,1-2H3,(H,34,35)(H,36,37)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444927 (CHEMBL3099744) Show SMILES COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H23F3N2O6/c1-39-20-9-6-16(7-10-20)12-25(28(38)40-2)34-26(35)24-15-22(27(36)37)21-14-18(8-11-23(21)33-24)17-4-3-5-19(13-17)29(30,31)32/h3-11,13-15,25H,12H2,1-2H3,(H,34,35)(H,36,37)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)-cyclin A interaction preincubated for 30 mins at room temperature followed by incubation at 40 degC for 30 mins b...				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50444927 (CHEMBL3099744) Show SMILES COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H23F3N2O6/c1-39-20-9-6-16(7-10-20)12-25(28(38)40-2)34-26(35)24-15-22(27(36)37)21-14-18(8-11-23(21)33-24)17-4-3-5-19(13-17)29(30,31)32/h3-11,13-15,25H,12H2,1-2H3,(H,34,35)(H,36,37)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to CDK2 (unknown origin) at 20 to 80 degC by circular dichroism analysis				Bioorg Med Chem Lett 24: 199-203 (2013) Article DOI: 10.1016/j.bmcl.2013.11.041 BindingDB Entry DOI: 10.7270/Q2SN0BF8
					More data for this Ligand-Target Pair