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Compile Data Set for Download or QSAR

Found 4 hits of ec50 data for polymerid = 50006818   
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
Ceramide transfer protein


(Homo sapiens (Human))
BDBM50067353
PNG
(CHEMBL3401792)
Show SMILES CCCCCCCCCCCC(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21+/m1/s1
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MCE
PC cid
PC sid
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Article
PubMed
n/an/an/an/a 4.00E+3n/an/an/an/a



Universit£ Paul Sabatier-Toulouse III

Curated by ChEMBL


Assay Description
Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...


Bioorg Med Chem 23: 2004-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.019
BindingDB Entry DOI: 10.7270/Q2GT5PVM
More data for this
Ligand-Target Pair
Ceramide transfer protein


(Homo sapiens (Human))
BDBM50067352
PNG
(CHEMBL122892)
Show SMILES CCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
Show InChI InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21-/m1/s1
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PubMed
n/an/an/an/a 2.20E+4n/an/an/an/a



Universit£ Paul Sabatier-Toulouse III

Curated by ChEMBL


Assay Description
Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...


Bioorg Med Chem 23: 2004-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.019
BindingDB Entry DOI: 10.7270/Q2GT5PVM
More data for this
Ligand-Target Pair
Ceramide transfer protein


(Homo sapiens (Human))
BDBM50067350
PNG
(CHEMBL3401790)
Show SMILES CCCCCCCCCCCC(=O)N[C@H](CO)C[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21-/m0/s1
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PubMed
n/an/an/an/a 2.50E+4n/an/an/an/a



Universit£ Paul Sabatier-Toulouse III

Curated by ChEMBL


Assay Description
Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...


Bioorg Med Chem 23: 2004-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.019
BindingDB Entry DOI: 10.7270/Q2GT5PVM
More data for this
Ligand-Target Pair
Ceramide transfer protein


(Homo sapiens (Human))
BDBM50067351
PNG
(CHEMBL3401791)
Show SMILES CCCCCCCCCCCC(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.59E+5n/an/an/an/a



Universit£ Paul Sabatier-Toulouse III

Curated by ChEMBL


Assay Description
Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...


Bioorg Med Chem 23: 2004-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.019
BindingDB Entry DOI: 10.7270/Q2GT5PVM
More data for this
Ligand-Target Pair