Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 369.4 BDBM50073764

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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 1 (Homo sapiens (Human))	BDBM50073764 (CHEMBL171891 | N*2*-(4-Amino-cyclohexyl)-9-ethyl-N...) Show SMILES CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;8.52,3.21,;5.86,3.21,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)| Show InChI InChI=1S/C19H24FN7/c1-2-27-11-22-16-17(23-14-7-3-12(20)4-8-14)25-19(26-18(16)27)24-15-9-5-13(21)6-10-15/h3-4,7-8,11,13,15H,2,5-6,9-10,21H2,1H3,(H2,23,24,25,26)/t13-,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined				Bioorg Med Chem Lett 9: 91-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7VHT
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