Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.3 BDBM50443282

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 2 (Homo sapiens (Human))	BDBM50443282 (CHEMBL5269468) Show SMILES O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C1(CCCCCC1)C1=CC=CC1 |r,wD:3.2,c:33,t:31,(20.71,-10.01,;21.19,-8.55,;22.69,-8.24,;24.01,-9.02,;24,-10.55,;25.35,-11.3,;25.15,-12.82,;26.37,-13.77,;26.17,-15.29,;27.39,-16.22,;27.17,-17.75,;28.39,-18.69,;29.82,-18.1,;30.01,-16.57,;28.79,-15.64,;26.66,-10.59,;26.68,-9.04,;25.35,-8.27,;24.37,-9.45,;25.76,-10.08,;20.16,-7.39,;18.74,-6.79,;18.32,-5.31,;19.21,-4.05,;20.75,-3.99,;21.77,-5.14,;21.51,-6.66,;19.14,-8.55,;17.61,-8.42,;17.01,-9.84,;18.17,-10.86,;19.49,-10.07,)| Show InChI InChI=1S/C28H38NO3/c30-27(28(24-10-6-7-11-24)16-8-1-2-9-17-28)32-26-22-29(18-14-23(26)15-19-29)20-21-31-25-12-4-3-5-13-25/h3-7,10,12-13,23,26H,1-2,8-9,11,14-22H2/q+1/t23?,26-,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
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