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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P54252   
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
Ataxin-3


(Homo sapiens)
BDBM50538571
PNG
(CHEMBL4635160)
Show SMILES C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 |r|
Show InChI InChI=1S/C28H30ClN3O3S/c1-14-9-16(29)10-19(24(14)35-21-6-7-30-12-15(21)2)18-5-8-31-20-11-17(36-25(18)20)13-32-26(33)22-23(27(32)34)28(22,3)4/h5,8-11,15,21-23,30H,6-7,12-13H2,1-4H3/t15-,21+,22?,23?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



RAPT Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged Ataxin-3 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodami...


J Med Chem 63: 5398-5420 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00245
BindingDB Entry DOI: 10.7270/Q2XK8K2T
More data for this
Ligand-Target Pair
Ataxin-3


(Homo sapiens)
BDBM50591321
PNG
(CHEMBL5172138)
Show SMILES O=C1c2nc(oc2C(=O)c2ccccc12)-c1cccnc1
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PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00408
BindingDB Entry DOI: 10.7270/Q25H7M81
More data for this
Ligand-Target Pair
Ataxin-3


(Homo sapiens)
BDBM50591324
PNG
(CHEMBL5185273)
Show SMILES CN1CC[C@H](C1)Oc1ccc(F)c(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1Cl |r|
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00408
BindingDB Entry DOI: 10.7270/Q25H7M81
More data for this
Ligand-Target Pair
Ataxin-3


(Homo sapiens)
BDBM50591323
PNG
(CHEMBL5173239)
Show SMILES CN1CC[C@H](C1)Oc1ccc(Cl)c(-c2nc3c(o2)C(=O)c2ccccc2C3=O)c1F |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00408
BindingDB Entry DOI: 10.7270/Q25H7M81
More data for this
Ligand-Target Pair
Ataxin-3


(Homo sapiens)
BDBM50591322
PNG
(CHEMBL5196686)
Show SMILES CN1CC[C@H](C1)Oc1ccc(Cl)c(c1)-c1nc2c(o1)C(=O)c1ccccc1C2=O |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00408
BindingDB Entry DOI: 10.7270/Q25H7M81
More data for this
Ligand-Target Pair