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BDBM50329426 5-(2-Amino-5-fluoro-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide::CHEMBL1271334::US9670191, V1

SMILES: NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1F

InChI Key: InChIKey=PEQPUGZELMBNKY-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50329426   
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
Cdc7 Kinase


(Homo sapiens (Human))
BDBM50329426
PNG
(5-(2-Amino-5-fluoro-pyrimidin-4-yl)-2-phenyl-1H-py...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1F
Show InChI InChI=1S/C15H12FN5O/c16-10-7-19-15(18)21-13(10)11-6-9(14(17)22)12(20-11)8-4-2-1-3-5-8/h1-7,20H,(H2,17,22)(H2,18,19,21)
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PC cid
PC sid
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Similars

US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
The assay consists of the transfer of radioactivity labeled phosphate moiety by the kinase to an acceptor substrate. The resulting 33P-labeled produc...


US Patent US9670191 (2017)


BindingDB Entry DOI: 10.7270/Q2X63K3K
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50329426
PNG
(5-(2-Amino-5-fluoro-pyrimidin-4-yl)-2-phenyl-1H-py...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1F
Show InChI InChI=1S/C15H12FN5O/c16-10-7-19-15(18)21-13(10)11-6-9(14(17)22)12(20-11)8-4-2-1-3-5-8/h1-7,20H,(H2,17,22)(H2,18,19,21)
PDB

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CHEMBL
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of Cdc7


J Med Chem 53: 7296-315 (2010)


Article DOI: 10.1021/jm100504d
BindingDB Entry DOI: 10.7270/Q24T6JM3
More data for this
Ligand-Target Pair