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Compile Data Set for Download or QSAR

Found 3 hits of kd data for polymerid = 2258,50004806,5790   
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
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50180652
PNG
(CHEMBL3819527)
Show SMILES CN1CCN(CC(=O)N2N=C3C(CCC\C3=C/c3ccccc3)C2c2ccccc2)CC1
Show InChI InChI=1S/C27H32N4O/c1-29-15-17-30(18-16-29)20-25(32)31-27(22-11-6-3-7-12-22)24-14-8-13-23(26(24)28-31)19-21-9-4-2-5-10-21/h2-7,9-12,19,24,27H,8,13-18,20H2,1H3/b23-19+
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n/an/an/a 3.90E+3n/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Binding affinity to wild-type His6-tagged human 15-LOX expressed in Escherichia coli Rosetta DE3 by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50180654
PNG
(CHEMBL3817975)
Show SMILES c1c2ccccn2c2cc-3c(n[n+]12)-c1cccc2cccc-3c12
Show InChI InChI=1S/C20H12N3/c1-2-10-22-14(7-1)12-23-18(22)11-17-15-8-3-5-13-6-4-9-16(19(13)15)20(17)21-23/h1-12H/q+1
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n/an/an/a 4.40E+3n/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Binding affinity to wild-type His6-tagged human 15-LOX expressed in Escherichia coli Rosetta DE3 by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50180653
PNG
(CHEMBL3194617)
Show SMILES [I-].C[n+]1cn(\N=C\c2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H14N3.HI/c1-17-12-18(15-10-6-5-9-14(15)17)16-11-13-7-3-2-4-8-13;/h2-12H,1H3;1H/q+1;/p-1/b16-11+;
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PubMed
n/an/an/a 1.53E+4n/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Binding affinity to wild-type His6-tagged human 15-LOX expressed in Escherichia coli Rosetta DE3 by SPR assay


Citation and Details
More data for this
Ligand-Target Pair