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BDBM316302 5-[6-(2-Ethoxy-4-fluoro-phenyl)- pyrimidin-4-ylamino]-2-methoxy- benzamide::US10294218, Example 130::US9617225, Example 130

SMILES: CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1

InChI Key: InChIKey=HOBPRFASLSETAO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 316302   
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-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM316302
PNG
(5-[6-(2-Ethoxy-4-fluoro-phenyl)- pyrimidin-4-ylami...)
Show SMILES CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C20H19FN4O3/c1-3-28-18-8-12(21)4-6-14(18)16-10-19(24-11-23-16)25-13-5-7-17(27-2)15(9-13)20(22)26/h4-11H,3H2,1-2H3,(H2,22,26)(H,23,24,25)
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MMDB

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US Patent
n/an/a<100n/an/an/an/an/an/a



GSK



Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...


Bioorg Med Chem Lett 18: 1022-6 (2008)


BindingDB Entry DOI: 10.7270/Q2RB76X4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM316302
PNG
(5-[6-(2-Ethoxy-4-fluoro-phenyl)- pyrimidin-4-ylami...)
Show SMILES CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1
Show InChI InChI=1S/C20H19FN4O3/c1-3-28-18-8-12(21)4-6-14(18)16-10-19(24-11-23-16)25-13-5-7-17(27-2)15(9-13)20(22)26/h4-11H,3H2,1-2H3,(H2,22,26)(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



VIROSTATICS SRL

US Patent


Assay Description
The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...


US Patent US9617225 (2017)


BindingDB Entry DOI: 10.7270/Q29W0HK6
More data for this
Ligand-Target Pair