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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'fechner' and Initial = 'ga'   
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
Carboxypeptidase B


(Homo sapiens (Human))
BDBM50233004
PNG
(2-(3-carbamimidamidopropylidene)butanedioic acid |...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]\[#6]=[#6](\[#6]-[#6](-[#8])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C8H13N3O4/c9-8(10)11-3-1-2-5(7(14)15)4-6(12)13/h2H,1,3-4H2,(H,12,13)(H,14,15)(H4,9,10,11)/b5-2-
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n/an/a 360n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of carboxypeptidase B


Bioorg Med Chem Lett 18: 1495-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.060
BindingDB Entry DOI: 10.7270/Q2GB23T5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50225276
PNG
(6-(3,3'-dihydroxy-4'-sulfooxy-biphenyl-4-yloxy)-2,...)
Show SMILES OC(=O)c1cc2oc3c(Oc4ccc(cc4O)-c4ccc(OS(O)(=O)=O)c(O)c4)cc(O)cc3c2cc1O
Show InChI InChI=1S/C25H16O12S/c26-13-7-15-14-9-17(27)16(25(30)31)10-22(14)36-24(15)23(8-13)35-20-3-1-11(5-18(20)28)12-2-4-21(19(29)6-12)37-38(32,33)34/h1-10,26-29H,(H,30,31)(H,32,33,34)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Nat Prod 70: 1790-2 (2007)


Article DOI: 10.1021/np070225o
BindingDB Entry DOI: 10.7270/Q2DZ081R
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50225828
PNG
((2Z,2'Z)-N,N'-{butane-1,4-diylbis[(methylimino)pro...)
Show SMILES COc1c(Br)cc(CC(N=O)C(=O)NCCCN(C)CCCCN(C)C(=O)CCCNC(=O)C(Cc2cc(Br)c(OC)c(Br)c2)N=O)cc1Br
Show InChI InChI=1S/C33H44Br4N6O7/c1-42(13-8-11-39-33(46)28(41-48)20-22-17-25(36)31(50-4)26(37)18-22)12-5-6-14-43(2)29(44)9-7-10-38-32(45)27(40-47)19-21-15-23(34)30(49-3)24(35)16-21/h15-18,27-28H,5-14,19-20H2,1-4H3,(H,38,45)(H,39,46)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Displacement of [3H]SAM from Icmt relative to SAH


Bioorg Med Chem Lett 17: 6860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.021
BindingDB Entry DOI: 10.7270/Q2MG7P73
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50225277
PNG
(2,8-dihydroxy-6-(3,3',4'-trihydroxy-biphenyl-4-ylo...)
Show SMILES OC(=O)c1cc2oc3c(Oc4ccc(cc4O)-c4ccc(O)c(O)c4)cc(O)cc3c2cc1O
Show InChI InChI=1S/C25H16O9/c26-13-7-15-14-9-18(28)16(25(31)32)10-22(14)34-24(15)23(8-13)33-21-4-2-12(6-20(21)30)11-1-3-17(27)19(29)5-11/h1-10,26-30H,(H,31,32)
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n/an/a 3.71E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Nat Prod 70: 1790-2 (2007)


Article DOI: 10.1021/np070225o
BindingDB Entry DOI: 10.7270/Q2DZ081R
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50479260
PNG
(APLYSAMINE 6)
Show SMILES COc1ccc(\C=C\C(=O)NCCc2cc(Br)c(OCCCN)c(Br)c2)cc1Br
Show InChI InChI=1S/C21H23Br3N2O3/c1-28-19-5-3-14(11-16(19)22)4-6-20(27)26-9-7-15-12-17(23)21(18(24)13-15)29-10-2-8-25/h3-6,11-13H,2,7-10,25H2,1H3,(H,26,27)/b6-4+
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n/an/a 1.40E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Icmt using [3H]SAM as substrate


J Nat Prod 71: 1066-7 (2008)


Article DOI: 10.1021/np0706623
BindingDB Entry DOI: 10.7270/Q2M0488M
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50090256
PNG
((R)-2-((S)-1,2-dihydroxyethyl)-4,5-dihydroxyfuran-...)
Show SMILES OC[C@H](O)c1oc(O)c(O)c1O |r|
Show InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,7-11H,1H2/t2-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha2B receptor expressed in HEK293 cells coexpressing Gqi5 protein by FLIPR assay


Bioorg Med Chem 17: 2497-500 (2009)


Article DOI: 10.1016/j.bmc.2009.01.065
BindingDB Entry DOI: 10.7270/Q2FJ2GPP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50250521
PNG
((-)-dibromophakellin | CHEMBL447696 | dibromophake...)
Show SMILES NC1=N[C@H]2n3c(Br)c(Br)cc3C(=O)N3CCC[C@]23N1 |r,t:1|
Show InChI InChI=1S/C11H11Br2N5O/c12-5-4-6-8(19)17-3-1-2-11(17)9(15-10(14)16-11)18(6)7(5)13/h4,9H,1-3H2,(H3,14,15,16)/t9-,11+/m0/s1
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n/an/an/an/a 4.20E+3n/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha2B receptor expressed in HEK293 cells coexpressing Gqi5 protein by FLIPR assay


Bioorg Med Chem 17: 2497-500 (2009)


Article DOI: 10.1016/j.bmc.2009.01.065
BindingDB Entry DOI: 10.7270/Q2FJ2GPP
More data for this
Ligand-Target Pair