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BDBM50352574 CHEMBL1825153::US8772288, 32

SMILES: Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)NC1CC1

InChI Key: InChIKey=AFIBQAJPKHFDSS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50352574   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50352574
PNG
(CHEMBL1825153 | US8772288, 32)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H24F2N2O2/c1-14-2-3-16(21(29)27-17-5-6-17)12-18(14)15-4-7-19-20(13-15)28-22(30)23(19)8-10-24(25,26)11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,27,29)(H,28,30)
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US Patent
n/an/a 1.80n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50352574
PNG
(CHEMBL1825153 | US8772288, 32)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H24F2N2O2/c1-14-2-3-16(21(29)27-17-5-6-17)12-18(14)15-4-7-19-20(13-15)28-22(30)23(19)8-10-24(25,26)11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,27,29)(H,28,30)
PDB
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha in human whole blood assessed as reduction in TNF-alpha production by ELISA


Bioorg Med Chem Lett 21: 5270-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.033
BindingDB Entry DOI: 10.7270/Q2KD1Z8K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50352574
PNG
(CHEMBL1825153 | US8772288, 32)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H24F2N2O2/c1-14-2-3-16(21(29)27-17-5-6-17)12-18(14)15-4-7-19-20(13-15)28-22(30)23(19)8-10-24(25,26)11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,27,29)(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay


Bioorg Med Chem Lett 21: 5270-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.033
BindingDB Entry DOI: 10.7270/Q2KD1Z8K
More data for this
Ligand-Target Pair