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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 179442   
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))
BDBM179442
PNG
(US9669034, 106 (rac)-N-{3,4-Difluoro-5-[(S-methyls...)
Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)n1
Show InChI InChI=1S/C18H16F3N5O2S/c1-28-15-6-11(19)3-4-13(15)17-23-9-24-18(26-17)25-12-5-10(8-29(2,22)27)16(21)14(20)7-12/h3-7,9,22H,8H2,1-2H3,(H,23,24,25,26)
PDB
MMDB

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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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM179442
PNG
(US9669034, 106 (rac)-N-{3,4-Difluoro-5-[(S-methyls...)
Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)n1
Show InChI InChI=1S/C18H16F3N5O2S/c1-28-15-6-11(19)3-4-13(15)17-23-9-24-18(26-17)25-12-5-10(8-29(2,22)27)16(21)14(20)7-12/h3-7,9,22H,8H2,1-2H3,(H,23,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 400n/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