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Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P41148   
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
Endoplasmin


(Canis familiaris)
BDBM50270471
PNG
(CHEMBL4075556)
Show SMILES Oc1cc(O)c(Cl)c(CCc2nccn2Cc2ccccc2)c1Cl
Show InChI InChI=1S/C18H16Cl2N2O2/c19-17-13(18(20)15(24)10-14(17)23)6-7-16-21-8-9-22(16)11-12-4-2-1-3-5-12/h1-5,8-10,23-24H,6-7,11H2
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440n/an/an/an/an/an/an/an/a



Hauptman-Woodward Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assay


J Med Chem 61: 2793-2805 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01608
BindingDB Entry DOI: 10.7270/Q2P84FCD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endoplasmin


(Canis familiaris)
BDBM50087812
PNG
(CHEMBL3426787)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1
Show InChI InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3
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440n/an/an/an/an/an/an/an/a



Hauptman-Woodward Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assay


J Med Chem 61: 2793-2805 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01608
BindingDB Entry DOI: 10.7270/Q2P84FCD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endoplasmin


(Canis familiaris)
BDBM50270472
PNG
(CHEMBL4098757)
Show SMILES COC(=O)c1c(O)cc(O)c(C(=O)OC)c1CCc1nccn1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O6/c1-29-21(27)19-15(20(22(28)30-2)17(26)12-16(19)25)8-9-18-23-10-11-24(18)13-14-6-4-3-5-7-14/h3-7,10-12,25-26H,8-9,13H2,1-2H3
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4.10E+3n/an/an/an/an/an/an/an/a



Hauptman-Woodward Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assay


J Med Chem 61: 2793-2805 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01608
BindingDB Entry DOI: 10.7270/Q2P84FCD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endoplasmin


(Canis familiaris)
BDBM50606766
PNG
(CHEMBL5218680)
Show SMILES CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1ccnn1C)C(N)=O
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>5.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114516
BindingDB Entry DOI: 10.7270/Q2TQ65N5
More data for this
Ligand-Target Pair