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BDBM22302 N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide::tryptamine sulfonamide, 37l

SMILES: CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1

InChI Key: InChIKey=NAGWGZLQLARBPK-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 22302   
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))
BDBM22302
PNG
(N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H30N2O3S/c1-2-3-4-9-21-14-16-23(17-15-21)35(32,33)30-19-18-25-24-11-6-7-12-26(24)31-29(25)28-20-22-10-5-8-13-27(22)34-28/h5-8,10-17,20,30-31H,2-4,9,18-19H2,1H3
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Article
PubMed
21n/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
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22302
PNG
(N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H30N2O3S/c1-2-3-4-9-21-14-16-23(17-15-21)35(32,33)30-19-18-25-24-11-6-7-12-26(24)31-29(25)28-20-22-10-5-8-13-27(22)34-28/h5-8,10-17,20,30-31H,2-4,9,18-19H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 15: 1435-40 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.081
BindingDB Entry DOI: 10.7270/Q2T43RD2
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22302
PNG
(N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H30N2O3S/c1-2-3-4-9-21-14-16-23(17-15-21)35(32,33)30-19-18-25-24-11-6-7-12-26(24)31-29(25)28-20-22-10-5-8-13-27(22)34-28/h5-8,10-17,20,30-31H,2-4,9,18-19H2,1H3
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PubMed
n/an/a 21n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of rabbit reticulocyte 12/15-lipoxygenase


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair