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BDBM50361707 CHEMBL1941056

SMILES: CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCN(C)CC1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=COYJFRAHOXFIGH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50361707   
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
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50361707
PNG
(CHEMBL1941056)
Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCN(C)CC1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H33N5O5/c1-5-28-27(36)24-23(25(37-30-24)20-14-19(16(2)3)21(33)15-22(20)34)29-26(35)17-6-8-18(9-7-17)32-12-10-31(4)11-13-32/h6-9,14-16,33-34H,5,10-13H2,1-4H3,(H,28,36)(H,29,35)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay


J Med Chem 54: 8592-604 (2011)


Article DOI: 10.1021/jm201155e
BindingDB Entry DOI: 10.7270/Q2QF8T9M
More data for this
Ligand-Target Pair