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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'abbott' and Initial = 'd'   
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
High affinity immunoglobulin gamma Fc receptor I


(Homo sapiens)
BDBM50303805
PNG
(2-(4-(4-(4-(4-aminophenethylamino)-6-(3-aminopheny...)
Show SMILES Nc1ccc(CCNc2nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)nc(Nc3cccc(N)c3)n2)cc1
Show InChI InChI=1S/C36H41N15O/c37-25-11-7-23(8-12-25)15-17-41-32-48-34(51-36(49-32)45-30-6-2-4-27(39)22-30)43-28-13-9-24(10-14-28)16-18-40-31-46-33(42-19-20-52)50-35(47-31)44-29-5-1-3-26(38)21-29/h1-14,21-22,52H,15-20,37-39H2,(H3,40,42,44,46,47,50)(H3,41,43,45,48,49,51)
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n/an/a 2.90E+3n/an/an/an/an/an/a



ProMetic BioSciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of heat aggregated human IgG binding to human Fc-gamma-R1


J Med Chem 53: 1138-45 (2010)

Checked by Author
Article DOI: 10.1021/jm901403r
BindingDB Entry DOI: 10.7270/Q21G0MC4
More data for this
Ligand-Target Pair
Low affinity immunoglobulin gamma Fc region receptor II-a


(Homo sapiens)
BDBM50303805
PNG
(2-(4-(4-(4-(4-aminophenethylamino)-6-(3-aminopheny...)
Show SMILES Nc1ccc(CCNc2nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)nc(Nc3cccc(N)c3)n2)cc1
Show InChI InChI=1S/C36H41N15O/c37-25-11-7-23(8-12-25)15-17-41-32-48-34(51-36(49-32)45-30-6-2-4-27(39)22-30)43-28-13-9-24(10-14-28)16-18-40-31-46-33(42-19-20-52)50-35(47-31)44-29-5-1-3-26(38)21-29/h1-14,21-22,52H,15-20,37-39H2,(H3,40,42,44,46,47,50)(H3,41,43,45,48,49,51)
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n/an/a 1.20E+4n/an/an/an/an/an/a



ProMetic BioSciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of heat aggregated human IgG binding to human Fc-gamma-R2a


J Med Chem 53: 1138-45 (2010)

Checked by Author
Article DOI: 10.1021/jm901403r
BindingDB Entry DOI: 10.7270/Q21G0MC4
More data for this
Ligand-Target Pair
Low affinity immunoglobulin gamma Fc region receptor III-B


(Homo sapiens)
BDBM50303805
PNG
(2-(4-(4-(4-(4-aminophenethylamino)-6-(3-aminopheny...)
Show SMILES Nc1ccc(CCNc2nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)nc(Nc3cccc(N)c3)n2)cc1
Show InChI InChI=1S/C36H41N15O/c37-25-11-7-23(8-12-25)15-17-41-32-48-34(51-36(49-32)45-30-6-2-4-27(39)22-30)43-28-13-9-24(10-14-28)16-18-40-31-46-33(42-19-20-52)50-35(47-31)44-29-5-1-3-26(38)21-29/h1-14,21-22,52H,15-20,37-39H2,(H3,40,42,44,46,47,50)(H3,41,43,45,48,49,51)
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n/an/a 5.70E+4n/an/an/an/an/an/a



ProMetic BioSciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of heat aggregated human IgG binding to human Fc-gamma-R3b


J Med Chem 53: 1138-45 (2010)

Checked by Author
Article DOI: 10.1021/jm901403r
BindingDB Entry DOI: 10.7270/Q21G0MC4
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM36372
PNG
((5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methyl-2...)
Show SMILES CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O
Show InChI InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)/t10-/m1/s1
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Article
PubMed
n/an/an/an/a 18n/an/a7.330



Tufts University



Assay Description
In vitro kinase assay using RIP1


Nat Chem Biol 4: 313-21 (2008)


Article DOI: 10.1038/nchembio.83
BindingDB Entry DOI: 10.7270/Q21V5C91
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM36371
PNG
(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Show SMILES CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
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n/an/an/an/a 182n/an/a7.330



Tufts University



Assay Description
In vitro kinase assay using RIP1


Nat Chem Biol 4: 313-21 (2008)


Article DOI: 10.1038/nchembio.83
BindingDB Entry DOI: 10.7270/Q21V5C91
More data for this
Ligand-Target Pair