Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 358.3 BDBM50164698

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))	BDBM50164698 (5-Fluoro-N*2*,N*4*-bis-(1H-indol-5-yl)-pyrimidine-...) Show SMILES Fc1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C20H15FN6/c21-16-11-24-20(26-15-2-4-18-13(10-15)6-8-23-18)27-19(16)25-14-1-3-17-12(9-14)5-7-22-17/h1-11,22-23H,(H2,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin dependent kinase 1				Bioorg Med Chem Lett 15: 1973-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.076 BindingDB Entry DOI: 10.7270/Q2610ZT5
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