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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 385.4
BDBM167823

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM167823
PNG
(US9073922, 319)
Show SMILES C(Nc1cncc(n1)-c1ccnc2[nH]c(cc12)C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C22H23N7/c1-2-15(11-24-6-1)12-27-21-14-25-13-20(28-21)17-5-9-26-22-18(17)10-19(29-22)16-3-7-23-8-4-16/h1-2,5-6,9-11,13-14,16,23H,3-4,7-8,12H2,(H,26,29)(H,27,28)
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Similars

US Patent
n/an/a 29n/an/an/an/an/an/a



AbbVie, Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...


US Patent US9073922 (2015)


BindingDB Entry DOI: 10.7270/Q2CJ8C78
More data for this
Ligand-Target Pair