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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sterol carrier protein 2'   
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
Sterol carrier protein 2


(Aedes aegypti)
BDBM50356199
PNG
(CHEMBL242113)
Show SMILES NC(=S)NN=Cc1ccc(O)cc1 |w:5.5|
Show InChI InChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13)
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Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of NBD-cholesterol binding to recombinant Aedes aegypti SCP-2 protein by fluorescence based assay


Eur J Med Chem 100: 162-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.061
BindingDB Entry DOI: 10.7270/Q2W66NHM
More data for this
Ligand-Target Pair
Sterol carrier protein 2


(Homo sapiens (Human))
BDBM50375422
PNG
(CHEMBL260520)
Show SMILES CCN(CC)c1ccc2nc3c(cc(=O)c4ccc(OCCCC(O)=O)cc34)oc2c1
Show InChI InChI=1S/C24H24N2O5/c1-3-26(4-2)15-7-10-19-21(12-15)31-22-14-20(27)17-9-8-16(13-18(17)24(22)25-19)30-11-5-6-23(28)29/h7-10,12-14H,3-6,11H2,1-2H3,(H,28,29)
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PubMed
n/an/an/a 947n/an/an/an/an/a



European Molecular Biology Laboratory

Curated by ChEMBL


Assay Description
Binding affinity to site 2 of human mature SCP2


Bioorg Med Chem 16: 1162-73 (2008)


Article DOI: 10.1016/j.bmc.2007.10.080
BindingDB Entry DOI: 10.7270/Q2319WSC
More data for this
Ligand-Target Pair
Sterol carrier protein 2


(Homo sapiens (Human))
BDBM50375422
PNG
(CHEMBL260520)
Show SMILES CCN(CC)c1ccc2nc3c(cc(=O)c4ccc(OCCCC(O)=O)cc34)oc2c1
Show InChI InChI=1S/C24H24N2O5/c1-3-26(4-2)15-7-10-19-21(12-15)31-22-14-20(27)17-9-8-16(13-18(17)24(22)25-19)30-11-5-6-23(28)29/h7-10,12-14H,3-6,11H2,1-2H3,(H,28,29)
PDB
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UniChem
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PubMed
n/an/an/a 339n/an/an/an/an/a



European Molecular Biology Laboratory

Curated by ChEMBL


Assay Description
Binding affinity to site 1 of human mature SCP2


Bioorg Med Chem 16: 1162-73 (2008)


Article DOI: 10.1016/j.bmc.2007.10.080
BindingDB Entry DOI: 10.7270/Q2319WSC
More data for this
Ligand-Target Pair
Sterol carrier protein 2


(Aedes aegypti)
BDBM50095121
PNG
(CHEMBL3589422)
Show SMILES COc1ccc(OC\C=N\NC(N)=S)cc1
Show InChI InChI=1S/C10H13N3O2S/c1-14-8-2-4-9(5-3-8)15-7-6-12-13-10(11)16/h2-6H,7H2,1H3,(H3,11,13,16)/b12-6+
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/an/an/a 600n/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Inhibition of NBD-cholesterol binding to recombinant Aedes aegypti SCP-2 protein by fluorescence based assay


Eur J Med Chem 100: 162-75 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.061
BindingDB Entry DOI: 10.7270/Q2W66NHM
More data for this
Ligand-Target Pair