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PubChem AID 488861

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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 protein phosphatase (VHR)


(Homo sapiens (human))
BDBM55601
PNG
(1-(2,3-dihydroindol-1-yl)-2-[[(5E)-4-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H25N5O2S/c1-2-35-21-13-11-20(12-14-21)33-27(23-17-29-24-9-5-4-8-22(23)24)30-31-28(33)36-18-26(34)32-16-15-19-7-3-6-10-25(19)32/h3-14,17,29H,2,15-16,18H2,1H3
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n/an/a 730n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM76334
PNG
(4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazo...)
Show SMILES Cc1ccc(cc1)-c1nnn2c1nc(NCCc1ccc(cc1)S(N)(=O)=O)c1ccccc21
Show InChI InChI=1S/C24H22N6O2S/c1-16-6-10-18(11-7-16)22-24-27-23(20-4-2-3-5-21(20)30(24)29-28-22)26-15-14-17-8-12-19(13-9-17)33(25,31)32/h2-13H,14-15H2,1H3,(H,26,27)(H2,25,31,32)
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n/an/a 783n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM31699
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[5-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1
Show InChI InChI=1S/C17H14N4O3S/c1-22-11-8-6-10(7-9-11)15-20-21-16(24-15)19-17-18-14-12(23-2)4-3-5-13(14)25-17/h3-9H,1-2H3,(H,18,19,21)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM76332
PNG
(MLS000325167 | N-[5-(1,3-benzothiazol-2-yl)-2-meth...)
Show SMILES Cc1ccc(cc1NC(=O)c1cc(ccc1Cl)-n1cnnc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C23H16ClN5OS/c1-14-6-7-15(23-28-19-4-2-3-5-21(19)31-23)10-20(14)27-22(30)17-11-16(8-9-18(17)24)29-12-25-26-13-29/h2-13H,1H3,(H,27,30)
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n/an/a 2.21E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM54145
PNG
(5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]a...)
Show SMILES Cc1csc(NC(=O)CCCC(O)=O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C17H16N2O3S2/c1-10-9-23-16(19-13(20)7-4-8-14(21)22)15(10)17-18-11-5-2-3-6-12(11)24-17/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,20)(H,21,22)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM55688
PNG
(6-bromanyl-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-...)
Show SMILES COc1ccccc1CCNC(=O)c1cc(nc2ccc(Br)cc12)-c1ccncc1
Show InChI InChI=1S/C24H20BrN3O2/c1-30-23-5-3-2-4-17(23)10-13-27-24(29)20-15-22(16-8-11-26-12-9-16)28-21-7-6-18(25)14-19(20)21/h2-9,11-12,14-15H,10,13H2,1H3,(H,27,29)
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n/an/a 5.05E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM76335
PNG
(MLS000672558 | N-[4-(difluoromethoxy)phenyl]-6-met...)
Show SMILES Cc1ccc2nc(cc(C(=O)Nc3ccc(OC(F)F)cc3)c2c1)-c1ccncc1
Show InChI InChI=1S/C23H17F2N3O2/c1-14-2-7-20-18(12-14)19(13-21(28-20)15-8-10-26-11-9-15)22(29)27-16-3-5-17(6-4-16)30-23(24)25/h2-13,23H,1H3,(H,27,29)
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n/an/a 5.69E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM76333
PNG
(MLS000580071 | N-[5-(4-chlorophenyl)-1,2,4-thiadia...)
Show SMILES Clc1ccc(cc1)-c1nc(NC(=O)CSc2ccc3ccccc3n2)ns1
Show InChI InChI=1S/C19H13ClN4OS2/c20-14-8-5-13(6-9-14)18-23-19(24-27-18)22-16(25)11-26-17-10-7-12-3-1-2-4-15(12)21-17/h1-10H,11H2,(H,22,24,25)
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n/an/a 6.74E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM76337
PNG
(10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one |...)
Show SMILES Cn1c2ccccc2c(=O)c2ccc(cc12)C#Cc1ccccn1
Show InChI InChI=1S/C21H14N2O/c1-23-19-8-3-2-7-17(19)21(24)18-12-10-15(14-20(18)23)9-11-16-6-4-5-13-22-16/h2-8,10,12-14H,1H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM75990
PNG
(MLS000765462 | N-(2-pyridin-3-yl-1,3-benzoxazol-5-...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1cccnc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H15N3O4/c25-20(13-3-5-18-19(10-13)27-9-8-26-18)23-15-4-6-17-16(11-15)24-21(28-17)14-2-1-7-22-12-14/h1-7,10-12H,8-9H2,(H,23,25)
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n/an/a 8.43E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM76336
PNG
(6-bromanyl-2-pyridin-2-yl-N-pyridin-4-yl-quinoline...)
Show SMILES Brc1ccc2nc(cc(C(=O)Nc3ccncc3)c2c1)-c1ccccn1
Show InChI InChI=1S/C20H13BrN4O/c21-13-4-5-17-15(11-13)16(20(26)24-14-6-9-22-10-7-14)12-19(25-17)18-3-1-2-8-23-18/h1-12H,(H,22,24,26)
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n/an/a 9.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z60MHJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%