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 = 'BDBM370115'   

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))	BDBM370115 (4-({6-(2-hydroxyethyl)-8-[(1R,2S)-2-methylcyclopen...) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n([C@@H]3CCC[C@@H]3C)c2n1 |r| Show InChI InChI=1S/C21H32N6O4S/c1-14-4-3-5-18(14)27-19-16(12-15(8-11-28)20(27)29)13-23-21(25-19)24-17-6-9-26(10-7-17)32(30,31)22-2/h12-14,17-18,22,28H,3-11H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	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))	BDBM370115 (4-({6-(2-hydroxyethyl)-8-[(1R,2S)-2-methylcyclopen...) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n([C@@H]3CCC[C@@H]3C)c2n1 |r| Show InChI InChI=1S/C21H32N6O4S/c1-14-4-3-5-18(14)27-19-16(12-15(8-11-28)20(27)29)13-23-21(25-19)24-17-6-9-26(10-7-17)32(30,31)22-2/h12-14,17-18,22,28H,3-11H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	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))	BDBM370115 (4-({6-(2-hydroxyethyl)-8-[(1R,2S)-2-methylcyclopen...) Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n([C@@H]3CCC[C@@H]3C)c2n1 |r| Show InChI InChI=1S/C21H32N6O4S/c1-14-4-3-5-18(14)27-19-16(12-15(8-11-28)20(27)29)13-23-21(25-19)24-17-6-9-26(10-7-17)32(30,31)22-2/h12-14,17-18,22,28H,3-11H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	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