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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-T1/Cyclin-dependent kinase 9' and Ligand = 'BDBM168387'   
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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM168387
PNG
(US9669034, 6 (rac)-4-[2-(Benzyloxy)-4-fluorophenyl...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C24H22FN5O2S/c1-33(26,31)15-18-8-5-9-20(12-18)29-24-28-16-27-23(30-24)21-11-10-19(25)13-22(21)32-14-17-6-3-2-4-7-17/h2-13,16,26H,14-15H2,1H3,(H,27,28,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM168387
PNG
(US9669034, 6 (rac)-4-[2-(Benzyloxy)-4-fluorophenyl...)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C24H22FN5O2S/c1-33(26,31)15-18-8-5-9-20(12-18)29-24-28-16-27-23(30-24)21-11-10-19(25)13-22(21)32-14-17-6-3-2-4-7-17/h2-13,16,26H,14-15H2,1H3,(H,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/a8.022



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9669034 (2017)


BindingDB Entry DOI: 10.7270/Q22Z13PG
More data for this
Ligand-Target Pair