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SMILES: CCCP(O)(=O)Oc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C

InChI Key: InChIKey=AHGGHNRODGIMKU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013594   
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))		BDBM50013594
PNG
(CHEMBL3263801)
Show SMILES CCCP(O)(=O)Oc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1C
Show InChI InChI=1S/C21H24N3O4P/c1-4-11-29(25,26)28-20-12-16(10-9-15(20)2)24-21-13-18(22-14-23-21)17-7-5-6-8-19(17)27-3/h5-10,12-14H,4,11H2,1-3H3,(H,25,26)(H,22,23,24)
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Article
PubMed
n/an/a 1.46E+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