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SMILES: CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)c1)OCC

InChI Key: InChIKey=DTXVXBZQJXIHJX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013487   
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))		BDBM50013487
PNG
(CHEMBL3264154)
Show SMILES CCCP(=O)(Cc1cccc(Nc2cc(ncn2)-c2ccc(F)cc2OC)c1)OCC
Show InChI InChI=1S/C23H27FN3O3P/c1-4-11-31(28,30-5-2)15-17-7-6-8-19(12-17)27-23-14-21(25-16-26-23)20-10-9-18(24)13-22(20)29-3/h6-10,12-14,16H,4-5,11,15H2,1-3H3,(H,25,26,27)
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n/an/a 186n/an/an/an/an/an/a



Vichem Chemie Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr

J Med Chem 57: 3939-65 (2014)


Article DOI: 10.1021/jm401742r
BindingDB Entry DOI: 10.7270/Q28C9XRB
More data for this
Ligand-Target Pair