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BDBM15397 3-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide::3-(5-chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamide 14l

SMILES: Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)NCc1ccc(F)cc1

InChI Key: InChIKey=KSQXYHCHSNPQNL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 15397   
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))
BDBM15397
PNG
(3-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-fluoropheny...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C17H13ClFN3O3/c18-13-5-11(14(23)6-15(13)24)16-12(8-21-22-16)17(25)20-7-9-1-3-10(19)4-2-9/h1-6,8,23-24H,7H2,(H,20,25)(H,21,22)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 5.35E+3n/an/an/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...


Bioorg Med Chem Lett 15: 5197-201 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.091
BindingDB Entry DOI: 10.7270/Q2N58JND
More data for this
Ligand-Target Pair