Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-E1' and Ligand = 'BDBM50464613'   

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 4/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50464613 (CHEMBL4288165 | US11091476, Example 12) Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:26| Show InChI InChI=1S/C29H32F2N6/c1-3-37-12-8-19(9-13-37)20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-18(2)29(22)10-4-5-11-29/h6-7,14-17,19H,3-5,8-13H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H13552
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