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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Non-specific lipid-transfer protein' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Non-specific lipid-transfer protein


(Homo sapiens)
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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
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


Citation and Details
More data for this
Ligand-Target Pair
Non-specific lipid-transfer protein


(Homo sapiens)
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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
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


Citation and Details
More data for this
Ligand-Target Pair