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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50071370   
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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50071370
PNG
((3R,8S)-falcarindiol | (3R,8S,)-heptadeca-1,9-dien...)
Show SMILES CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
Show InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 3.15E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay


Bioorg Med Chem Lett 25: 2028-32 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.003
BindingDB Entry DOI: 10.7270/Q2XP76M3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50071370
PNG
((3R,8S)-falcarindiol | (3R,8S,)-heptadeca-1,9-dien...)
Show SMILES CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
Show InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
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PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX1


J Nat Prod 68: 985-91 (2005)


Article DOI: 10.1021/np049655u
BindingDB Entry DOI: 10.7270/Q27S7PN5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50071370
PNG
((3R,8S)-falcarindiol | (3R,8S,)-heptadeca-1,9-dien...)
Show SMILES CCCCCCC\C=C/[C@H](O)C#CC#C[C@H](O)C=C |r|
Show InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m1/s1
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Article
PubMed
n/an/a 1.18E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells by liquid scintillation counting


J Nat Prod 69: 536-41 (2006)


Article DOI: 10.1021/np050301s
BindingDB Entry DOI: 10.7270/Q2ST7PM1
More data for this
Ligand-Target Pair