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SMILES: CC(C)Oc1cccc(-c2ccnc(Nc3ccc(cc3)S(=O)(=O)Nc3onc(C)c3C)n2)c1F

InChI Key: InChIKey=HTWRNSUAXNIUCQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454428   
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))		BDBM50454428
PNG
(CHEMBL4211689)
Show SMILES CC(C)Oc1cccc(-c2ccnc(Nc3ccc(cc3)S(=O)(=O)Nc3onc(C)c3C)n2)c1F
Show InChI InChI=1S/C24H24FN5O4S/c1-14(2)33-21-7-5-6-19(22(21)25)20-12-13-26-24(28-20)27-17-8-10-18(11-9-17)35(31,32)30-23-15(3)16(4)29-34-23/h5-14,30H,1-4H3,(H,26,27,28)
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n/an/a 458n/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