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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'addepalli' and Initial = 'r'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor-glucocorticoid complex transfected in rat R1 cells assessed as down-regulation of TPA-responsive element proinf...


J Nat Prod 71: 1063-5 (2008)


Article DOI: 10.1021/np070655e
BindingDB Entry DOI: 10.7270/Q23J3DVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(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
Isoprenylcysteine carboxyl methyltransferase


(Homo sapiens)
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
Protein-tyrosine phosphatase 1B


(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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50004233
PNG
(5,11-dimethyl-2H-pyrido[4,3-b]carbazole | CHEMBL12...)
Show SMILES Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor-glucocorticoid complex transfected in rat R1 cells assessed as down-regulation of TPA-responsive element proinf...


J Nat Prod 71: 1063-5 (2008)


Article DOI: 10.1021/np070655e
BindingDB Entry DOI: 10.7270/Q23J3DVC
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor-glucocorticoid complex transfected in rat R1 cells assessed as down-regulation of TPA-responsive element proinf...


J Nat Prod 71: 1063-5 (2008)


Article DOI: 10.1021/np070655e
BindingDB Entry DOI: 10.7270/Q23J3DVC
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
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
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