Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2/G1/S-specific cyclin-E1' and Ligand = 'BDBM370239'   

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))	BDBM370239 (US10233188, Example 126 | US10800783, Example 126 ...) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r| Show InChI InChI=1S/C19H27ClN6O4S/c1-19(28)7-3-4-15(19)26-16-12(10-14(20)17(26)27)11-22-18(24-16)23-13-5-8-25(9-6-13)31(29,30)21-2/h10-11,13,15,21,28H,3-9H2,1-2H3,(H,22,23,24)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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))	BDBM370239 (US10233188, Example 126 | US10800783, Example 126 ...) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r| Show InChI InChI=1S/C19H27ClN6O4S/c1-19(28)7-3-4-15(19)26-16-12(10-14(20)17(26)27)11-22-18(24-16)23-13-5-8-25(9-6-13)31(29,30)21-2/h10-11,13,15,21,28H,3-9H2,1-2H3,(H,22,23,24)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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))	BDBM370239 (US10233188, Example 126 | US10800783, Example 126 ...) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r| Show InChI InChI=1S/C19H27ClN6O4S/c1-19(28)7-3-4-15(19)26-16-12(10-14(20)17(26)27)11-22-18(24-16)23-13-5-8-25(9-6-13)31(29,30)21-2/h10-11,13,15,21,28H,3-9H2,1-2H3,(H,22,23,24)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length wild-type phosphorylated CDK2/Cyclin E1 (unknown origin) expressed in baculovirus expression system assessed as...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00017 BindingDB Entry DOI: 10.7270/Q2GF0Z4T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM370239 (US10233188, Example 126 | US10800783, Example 126 ...) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r| Show InChI InChI=1S/C19H27ClN6O4S/c1-19(28)7-3-4-15(19)26-16-12(10-14(20)17(26)27)11-22-18(24-16)23-13-5-8-25(9-6-13)31(29,30)21-2/h10-11,13,15,21,28H,3-9H2,1-2H3,(H,22,23,24)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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