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SMILES: Nc1ccccc1Nc1ccc2c(CCc3ccc(OC[C@H](O)CO)cc3C2=O)c1

InChI Key: InChIKey=VKULQTRXCPMGOH-GOSISDBHSA-N

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   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 = 50392167   
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))
BDBM50392167
PNG
(CHEMBL2152936)
Show SMILES Nc1ccccc1Nc1ccc2c(CCc3ccc(OC[C@H](O)CO)cc3C2=O)c1 |r|
Show InChI InChI=1S/C24H24N2O4/c25-22-3-1-2-4-23(22)26-17-8-10-20-16(11-17)6-5-15-7-9-19(12-21(15)24(20)29)30-14-18(28)13-27/h1-4,7-12,18,26-28H,5-6,13-14,25H2/t18-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha by immunosorbent based kinase assay


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50392167
PNG
(CHEMBL2152936)
Show SMILES Nc1ccccc1Nc1ccc2c(CCc3ccc(OC[C@H](O)CO)cc3C2=O)c1 |r|
Show InChI InChI=1S/C24H24N2O4/c25-22-3-1-2-4-23(22)26-17-8-10-20-16(11-17)6-5-15-7-9-19(12-21(15)24(20)29)30-14-18(28)13-27/h1-4,7-12,18,26-28H,5-6,13-14,25H2/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood


J Med Chem 55: 5868-77 (2012)


Article DOI: 10.1021/jm300327h
BindingDB Entry DOI: 10.7270/Q2CV4JTJ
More data for this
Ligand-Target Pair