Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2/G1/S-specific cyclin-E1' and Ligand = 'BDBM370124'   

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 (Homo sapiens (Human))	BDBM370124 (US10233188, Example 13 | US10800783, Example 13 | ...) Show SMILES NS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C17H24N6O3S/c18-27(25,26)22-9-7-13(8-10-22)20-17-19-11-12-5-6-15(24)23(16(12)21-17)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10H2,(H2,18,25,26)(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				J Med Chem 45: 1477-86 (2002) BindingDB Entry DOI: 10.7270/Q2FX7CSG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM370124 (US10233188, Example 13 | US10800783, Example 13 | ...) Show SMILES NS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C17H24N6O3S/c18-27(25,26)22-9-7-13(8-10-22)20-17-19-11-12-5-6-15(24)23(16(12)21-17)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10H2,(H2,18,25,26)(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KK9G2V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM370124 (US10233188, Example 13 | US10800783, Example 13 | ...) Show SMILES NS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C17H24N6O3S/c18-27(25,26)22-9-7-13(8-10-22)20-17-19-11-12-5-6-15(24)23(16(12)21-17)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10H2,(H2,18,25,26)(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...				US Patent US10800783 (2020) BindingDB Entry DOI: 10.7270/Q24X5BVD
					More data for this Ligand-Target Pair