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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 = 'BDBM258871'   
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))
BDBM258871
PNG
(US9499492, 23)
Show SMILES C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC(N)=O |r|
Show InChI InChI=1S/C20H15F6N5O2S/c1-34(33,31-18(27)32)9-10-4-11(20(24,25)26)6-13(5-10)29-19-28-8-16(23)17(30-19)14-3-2-12(21)7-15(14)22/h2-8H,9H2,1H3,(H2,27,32)(H,28,29,30)/t34-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a8.022



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 1a: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM258871
PNG
(US9499492, 23)
Show SMILES C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC(N)=O |r|
Show InChI InChI=1S/C20H15F6N5O2S/c1-34(33,31-18(27)32)9-10-4-11(20(24,25)26)6-13(5-10)29-19-28-8-16(23)17(30-19)14-3-2-12(21)7-15(14)22/h2-8H,9H2,1H3,(H2,27,32)(H,28,29,30)/t34-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/a8.022



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 1b: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were pu...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair