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SMILES: CCOP(=O)(CC)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C

InChI Key: InChIKey=PHEKZJHSQCVART-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013511   
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))		BDBM50013511
PNG
(CHEMBL3263774)
Show SMILES CCOP(=O)(CC)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C
Show InChI InChI=1S/C22H27N4O3P/c1-5-29-30(27,6-2)26-19-13-17(12-11-16(19)3)25-22-14-20(23-15-24-22)18-9-7-8-10-21(18)28-4/h7-15H,5-6H2,1-4H3,(H,26,27)(H,23,24,25)
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Article
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n/an/a 1.45E+3n/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