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BDBM50231526 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide::CHEMBL253608::N-[(3-chloro-5-(1-piperidinyl)phenyl] 4-[(2-amino)ethoxy]-3,5-dimethylbenzamide

SMILES: Cc1cc(cc(C)c1OCCN)C(=O)Nc1cc(Cl)cc(c1)N1CCCCC1

InChI Key: InChIKey=JDYIYIRPQKMWMM-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 = 50231526   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50231526
PNG
(4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphen...)
Show SMILES Cc1cc(cc(C)c1OCCN)C(=O)Nc1cc(Cl)cc(c1)N1CCCCC1
Show InChI InChI=1S/C22H28ClN3O2/c1-15-10-17(11-16(2)21(15)28-9-6-24)22(27)25-19-12-18(23)13-20(14-19)26-7-4-3-5-8-26/h10-14H,3-9,24H2,1-2H3,(H,25,27)
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MMDB

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n/an/a 520n/an/an/an/an/an/a



Astex Therapeutics Ltd

Curated by ChEMBL


Assay Description
Inhibition of uPA


J Med Chem 51: 183-6 (2008)


Article DOI: 10.1021/jm701359z
BindingDB Entry DOI: 10.7270/Q2XG9QWK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)