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BDBM50174088 4-(2-hydroxybenzylamino)-N-(3-(4-fluorophenoxy)phenyl)piperidine-1-sulfonamide::CHEMBL197277::N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE

SMILES: Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2ccc(F)cc2)c1

InChI Key: InChIKey=JHHBGNIRSUTQAS-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50174088   
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))
BDBM50174088
PNG
(4-(2-hydroxybenzylamino)-N-(3-(4-fluorophenoxy)phe...)
Show SMILES Oc1ccccc1CNC1CCN(CC1)S(=O)(=O)Nc1cccc(Oc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H26FN3O4S/c25-19-8-10-22(11-9-19)32-23-6-3-5-21(16-23)27-33(30,31)28-14-12-20(13-15-28)26-17-18-4-1-2-7-24(18)29/h1-11,16,20,26-27,29H,12-15,17H2
PDB
MMDB

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PC cid
PC sid
PDB
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Similars

DrugBank
PDB
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Locus Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against p38alpha MAPK


Bioorg Med Chem Lett 15: 5274-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.038
BindingDB Entry DOI: 10.7270/Q24J0DP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)