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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)'   
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
Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)


(Homo sapiens (Human))
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
25n/a 4.40E+4n/an/an/an/an/an/a



Texas Wesleyan University



Assay Description
For the 96-well plate validation assay, sodium orthovanadate (Sigma Aldrich) was utilized as a positive control for inhibition [Swarup et al., Bioche...


BMC Biochem 16: 19 (2015)


Article DOI: 10.1186/s12858-015-0048-3
BindingDB Entry DOI: 10.7270/Q26972FW
More data for this
Ligand-Target Pair
Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)


(Homo sapiens (Human))
BDBM225233
PNG
(RR505 | SM1842)
Show SMILES [O-]S(=O)(=O)c1ccc2[nH]c3c(cc(cc3c2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C12H9NO9S3/c14-23(15,16)6-1-2-10-8(3-6)9-4-7(24(17,18)19)5-11(12(9)13-10)25(20,21)22/h1-5,13H,(H,14,15,16)(H,17,18,19)(H,20,21,22)/p-3
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+6n/an/an/an/an/an/a



Texas Wesleyan University



Assay Description
For the 96-well plate validation assay, sodium orthovanadate (Sigma Aldrich) was utilized as a positive control for inhibition [Swarup et al., Bioche...


BMC Biochem 16: 19 (2015)


Article DOI: 10.1186/s12858-015-0048-3
BindingDB Entry DOI: 10.7270/Q26972FW
More data for this
Ligand-Target Pair
Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)


(Homo sapiens (Human))
BDBM50103242
PNG
(CHEMBL316894 | Naphthalene trisulfonate (NTS) | na...)
Show SMILES [O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
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PC cid
PC sid
PDB
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Article
PubMed
n/an/a 6.40E+6n/an/an/an/an/an/a



Texas Wesleyan University



Assay Description
For the 96-well plate validation assay, sodium orthovanadate (Sigma Aldrich) was utilized as a positive control for inhibition [Swarup et al., Bioche...


BMC Biochem 16: 19 (2015)


Article DOI: 10.1186/s12858-015-0048-3
BindingDB Entry DOI: 10.7270/Q26972FW
More data for this
Ligand-Target Pair
Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)


(Homo sapiens (Human))
BDBM225235
PNG
(RR506)
Show SMILES [O-]S(=O)(=O)c1cc(c2[nH]c3c(cc(cc3c2c1)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C12H9NO12S4/c14-26(15,16)5-1-7-8-2-6(27(17,18)19)4-10(29(23,24)25)12(8)13-11(7)9(3-5)28(20,21)22/h1-4,13H,(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)/p-4
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+7n/an/an/an/an/an/a



Texas Wesleyan University



Assay Description
For the 96-well plate validation assay, sodium orthovanadate (Sigma Aldrich) was utilized as a positive control for inhibition [Swarup et al., Bioche...


BMC Biochem 16: 19 (2015)


Article DOI: 10.1186/s12858-015-0048-3
BindingDB Entry DOI: 10.7270/Q26972FW
More data for this
Ligand-Target Pair
Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)


(Homo sapiens (Human))
BDBM225233
PNG
(RR505 | SM1842)
Show SMILES [O-]S(=O)(=O)c1ccc2[nH]c3c(cc(cc3c2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C12H9NO9S3/c14-23(15,16)6-1-2-10-8(3-6)9-4-7(24(17,18)19)5-11(12(9)13-10)25(20,21)22/h1-5,13H,(H,14,15,16)(H,17,18,19)(H,20,21,22)/p-3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+7n/an/an/an/an/an/a



Texas Wesleyan University



Assay Description
For the 96-well plate validation assay, sodium orthovanadate (Sigma Aldrich) was utilized as a positive control for inhibition [Swarup et al., Bioche...


BMC Biochem 16: 19 (2015)


Article DOI: 10.1186/s12858-015-0048-3
BindingDB Entry DOI: 10.7270/Q26972FW
More data for this
Ligand-Target Pair