Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 1' and Ligand = 'BDBM448940'   

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 1 (Homo sapiens (Human))	BDBM448940 (N-(5-(4-Ethylpiperazin-1-yl)pyridin-2-yl)-5-fluoro...) Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 Show InChI InChI=1S/C27H30F2N8/c1-4-35-9-11-36(12-10-35)18-5-6-22(30-15-18)32-26-31-16-20(29)24(34-26)17-13-19(28)25-21(14-17)37-23(33-25)7-8-27(37,2)3/h5-6,13-16H,4,7-12H2,1-3H3,(H,30,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	376	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
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