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BDBM20884 N-({4-[3-(5-chloro-2,4-dihydroxyphenyl)-5-(ethylcarbamoyl)-1H-pyrazol-4-yl]phenyl}methyl)-1-methylpiperidine-3-carboxamide::Pyrazole, 19b

SMILES: CCNC(=O)c1[nH]nc(c1-c1ccc(CNC(=O)C2CCCN(C)C2)cc1)-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=YLZJPRNJPBCDDK-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 20884   
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
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM20884
PNG
(N-({4-[3-(5-chloro-2,4-dihydroxyphenyl)-5-(ethylca...)
Show SMILES CCNC(=O)c1[nH]nc(c1-c1ccc(CNC(=O)C2CCCN(C)C2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C26H30ClN5O4/c1-3-28-26(36)24-22(23(30-31-24)18-11-19(27)21(34)12-20(18)33)16-8-6-15(7-9-16)13-29-25(35)17-5-4-10-32(2)14-17/h6-9,11-12,17,33-34H,3-5,10,13-14H2,1-2H3,(H,28,36)(H,29,35)(H,30,31)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 115n/a 3.47E+3n/an/a7.422



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...


J Med Chem 51: 196-218 (2008)


Article DOI: 10.1021/jm701018h
BindingDB Entry DOI: 10.7270/Q2JW8C5C
More data for this
Ligand-Target Pair