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SMILES: CCOc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1

InChI Key: InChIKey=OFFZTZQPFQQGKB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454400   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50454400
PNG
(CHEMBL4216039)
Show SMILES CCOc1cc(F)ccc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)n1
Show InChI InChI=1S/C21H18FN5O3S2/c1-2-30-19-13-14(22)3-8-17(19)18-9-10-23-20(26-18)25-15-4-6-16(7-5-15)32(28,29)27-21-24-11-12-31-21/h3-13H,2H2,1H3,(H,24,27)(H,23,25,26)
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n/an/a 210n/an/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...

Bioorg Med Chem Lett 28: 769-773 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.002
BindingDB Entry DOI: 10.7270/Q20867XN
More data for this
Ligand-Target Pair