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PDB code 1YC4

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HSP90 and hnRNPA2/B1

  (195/213 = 92%)
(Homo sapiens (Human))
BDBM50161651
PNG
(4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-DIHYDROXY-PHEN...)
Show SMILES CCc1cc(-c2n[nH]cc2-c2c[nH]cn2)c(O)cc1O
Show InChI InChI=1S/C14H14N4O2/c1-2-8-3-9(13(20)4-12(8)19)14-10(5-17-18-14)11-6-15-7-16-11/h3-7,19-20H,2H2,1H3,(H,15,16)(H,17,18)
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PC sid
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n/an/an/a 280n/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Hsp90 by surface plasmon resonance assay


Bioorg Med Chem 17: 2225-35 (2009)


Article DOI: 10.1016/j.bmc.2008.10.087
BindingDB Entry DOI: 10.7270/Q2T72JCS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha

  (227/228 > 99%)
(Homo sapiens (Human))
BDBM50161651
PNG
(4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-DIHYDROXY-PHEN...)
Show SMILES CCc1cc(-c2n[nH]cc2-c2c[nH]cn2)c(O)cc1O
Show InChI InChI=1S/C14H14N4O2/c1-2-8-3-9(13(20)4-12(8)19)14-10(5-17-18-14)11-6-15-7-16-11/h3-7,19-20H,2H2,1H3,(H,15,16)(H,17,18)
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PC sid
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PubMed
n/an/an/a 280n/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
In vitro dissociation constant for heat shock 90 kDa protein alpha


Bioorg Med Chem Lett 15: 1475-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.087
BindingDB Entry DOI: 10.7270/Q2X066JX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output