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BDBM50361690 CHEMBL1940933

SMILES: CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](CN)CC1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=HAMKBSLGCXVDLO-HDJSIYSDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50361690   
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))
BDBM50361690
PNG
(CHEMBL1940933)
Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](CN)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:16.17,wD:13.13,(5.35,-45.31,;3.81,-45.3,;3.04,-43.96,;1.5,-43.96,;.84,-42.57,;.63,-45.23,;1.15,-46.68,;-.07,-47.62,;-1.34,-46.74,;-.91,-45.27,;-1.85,-44.05,;-3.38,-44.02,;-4.18,-45.33,;-4.13,-42.67,;-3.33,-41.35,;-4.06,-40.01,;-5.6,-39.97,;-6.34,-38.61,;-7.88,-38.57,;-6.41,-41.28,;-5.67,-42.64,;-2.67,-47.52,;-4.01,-46.75,;-5.34,-47.52,;-6.67,-46.75,;-6.67,-45.21,;-8.01,-47.52,;-5.34,-49.07,;-6.67,-49.84,;-4.01,-49.84,;-2.67,-49.07,;-1.33,-49.83,)|
Show InChI InChI=1S/C23H32N4O5/c1-4-25-23(31)20-19(26-22(30)14-7-5-13(11-24)6-8-14)21(32-27-20)16-9-15(12(2)3)17(28)10-18(16)29/h9-10,12-14,28-29H,4-8,11,24H2,1-3H3,(H,25,31)(H,26,30)/t13-,14-
PDB
MMDB

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Article
PubMed
n/an/a 40n/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