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 = 'BDBM370227'   

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))	BDBM370227 (US10233188, Example 114 | US10800783, Example 114 ...) Show SMILES COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r| Show InChI InChI=1S/C22H33N5O5S/c1-15-13-16-14-23-21(24-17-6-9-26(10-7-17)33(30,31)12-11-32-3)25-19(16)27(20(15)28)18-5-4-8-22(18,2)29/h13-14,17-18,29H,4-12H2,1-3H3,(H,23,24,25)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	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))	BDBM370227 (US10233188, Example 114 | US10800783, Example 114 ...) Show SMILES COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r| Show InChI InChI=1S/C22H33N5O5S/c1-15-13-16-14-23-21(24-17-6-9-26(10-7-17)33(30,31)12-11-32-3)25-19(16)27(20(15)28)18-5-4-8-22(18,2)29/h13-14,17-18,29H,4-12H2,1-3H3,(H,23,24,25)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	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))	BDBM370227 (US10233188, Example 114 | US10800783, Example 114 ...) Show SMILES COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r| Show InChI InChI=1S/C22H33N5O5S/c1-15-13-16-14-23-21(24-17-6-9-26(10-7-17)33(30,31)12-11-32-3)25-19(16)27(20(15)28)18-5-4-8-22(18,2)29/h13-14,17-18,29H,4-12H2,1-3H3,(H,23,24,25)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	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