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SMILES: COc1ccc(F)cc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1

InChI Key: InChIKey=ZBJGREHWROGYRW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454457   
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))		BDBM50454457
PNG
(CHEMBL4203224)
Show SMILES COc1ccc(F)cc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1
Show InChI InChI=1S/C22H20FN5O4S/c1-13-14(2)27-32-21(13)28-33(29,30)17-7-5-16(6-8-17)25-22-24-11-10-19(26-22)18-12-15(23)4-9-20(18)31-3/h4-12,28H,1-3H3,(H,24,25,26)
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n/an/a 9n/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