Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 547.0 BDBM307986

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 9 (Homo sapiens (Human))	BDBM307986 (N-{5-chloro-4-[1-(tetrahydro-2H-pyran-4-ylmethyl)-...) Show SMILES CC(C(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(CC3CCOCC3)c2c1)S(=O)(=O)C1CCOCC1 Show InChI InChI=1S/C26H31ClN4O5S/c1-17(37(33,34)20-6-10-36-11-7-20)26(32)30-25-13-21(22(27)14-28-25)19-2-3-23-24(12-19)31(16-29-23)15-18-4-8-35-9-5-18/h2-3,12-14,16-18,20H,4-11,15H2,1H3,(H,28,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...				US Patent US9650358 (2017) BindingDB Entry DOI: 10.7270/Q2057J0M
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