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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'NADP-dependent leukotriene B4 12-hydroxydehydrogenase' AND taxid = 10116   
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
NADP-dependent leukotriene B4 12-hydroxydehydrogenase


(Rattus norvegicus)
BDBM50410835
PNG
(IROFULVEN)
Show SMILES CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
Show InChI InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1
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PC sid
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Article
PubMed
n/an/a 55n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Cytotoxicity against HEK293 cells transfected with recombinant AOR by MTT assay


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent leukotriene B4 12-hydroxydehydrogenase


(Rattus norvegicus)
BDBM50410833
PNG
(ACYLFULVENE)
Show SMILES CC1=CC2=C(C)[C@]3(CC3)[C@@](C)(O)C(=O)C2=C1
Show InChI InChI=1S/C14H16O2/c1-8-6-10-9(2)14(4-5-14)13(3,16)12(15)11(10)7-8/h6-7,16H,4-5H2,1-3H3/t13-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 95n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Cytotoxicity against HEK293 cells transfected with recombinant AOR by MTT assay


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent leukotriene B4 12-hydroxydehydrogenase


(Rattus norvegicus)
BDBM50410834
PNG
(CHEMBL380919)
Show SMILES CC1=C(CO)C2=C(C)C3(CC3)[C@](C)(O)C(=O)C2=C1
Show InChI InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m1/s1
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Cytotoxicity against HEK293 cells transfected with recombinant AOR by MTT assay


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent leukotriene B4 12-hydroxydehydrogenase


(Rattus norvegicus)
BDBM50410832
PNG
(CHEMBL205439)
Show SMILES CC1=CC2=C(C)C3(CC3)[C@](C)(O)C(=O)C2=C1
Show InChI InChI=1S/C14H16O2/c1-8-6-10-9(2)14(4-5-14)13(3,16)12(15)11(10)7-8/h6-7,16H,4-5H2,1-3H3/t13-/m1/s1
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Cytotoxicity against HEK293 cells transfected with recombinant AOR by MTT assay


Citation and Details
More data for this
Ligand-Target Pair