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SMILES: COc1ccccc1-c1ccnc(Nc2cc(C(N)=O)c(OC)cc2F)n1

InChI Key: InChIKey=AGVKMSHAHBUJMI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454455   
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))		BDBM50454455
PNG
(CHEMBL4206833)
Show SMILES COc1ccccc1-c1ccnc(Nc2cc(C(N)=O)c(OC)cc2F)n1
Show InChI InChI=1S/C19H17FN4O3/c1-26-16-6-4-3-5-11(16)14-7-8-22-19(23-14)24-15-9-12(18(21)25)17(27-2)10-13(15)20/h3-10H,1-2H3,(H2,21,25)(H,22,23,24)
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n/an/a 1.58E+3n/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