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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50123798   
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
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50123798
PNG
(CHEMBL235920)
Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1nc([nH]c1-c1ccc(OC)cc1)-c1cccs1
Show InChI InChI=1S/C30H36FN5O3S2/c1-4-36(25-16-18-35(20-25)21(2)22-7-11-24(31)12-8-22)41(37,38)32-17-15-27-29(23-9-13-26(39-3)14-10-23)34-30(33-27)28-6-5-19-40-28/h5-14,19,21,25,32H,4,15-18,20H2,1-3H3,(H,33,34)/t21?,25-/m1/s1
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Article
PubMed
73n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX-1 assessed as reduction in conversion of linoleic acid to 13(S)-HpODE incubated for 10 mins followed by linole...


Eur J Med Chem 122: 786-801 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.010
BindingDB Entry DOI: 10.7270/Q2V126S8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50123798
PNG
(CHEMBL235920)
Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1nc([nH]c1-c1ccc(OC)cc1)-c1cccs1
Show InChI InChI=1S/C30H36FN5O3S2/c1-4-36(25-16-18-35(20-25)21(2)22-7-11-24(31)12-8-22)41(37,38)32-17-15-27-29(23-9-13-26(39-3)14-10-23)34-30(33-27)28-6-5-19-40-28/h5-14,19,21,25,32H,4,15-18,20H2,1-3H3,(H,33,34)/t21?,25-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
73n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01121
BindingDB Entry DOI: 10.7270/Q28P62BK
More data for this
Ligand-Target Pair