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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with Target = 'phosphatase, orphan 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
phosphatase, orphan 1


(Homo sapiens)
BDBM46630
PNG
(2-(2-fluorophenyl)-4,6-dinitro-1,2-benzothiazol-3-...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccccc1F)c2=O
Show InChI InChI=1S/C13H6FN3O5S/c14-8-3-1-2-4-9(8)15-13(18)12-10(17(21)22)5-7(16(19)20)6-11(12)23-15/h1-6H
KEGG

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n/an/a 23.3n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46631
PNG
(2-(3-fluorophenyl)-4,6-dinitro-1,2-benzothiazol-3-...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1cccc(F)c1)c2=O
Show InChI InChI=1S/C13H6FN3O5S/c14-7-2-1-3-8(4-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)23-15/h1-6H
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n/an/a 34.8n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46637
PNG
(2-(4-bromophenyl)-4,6-dinitro-1,2-benzothiazol-3-o...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(Br)cc1)c2=O
Show InChI InChI=1S/C13H6BrN3O5S/c14-7-1-3-8(4-2-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)23-15/h1-6H
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n/an/a 72.5n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46632
PNG
(2-(4-fluorophenyl)-4,6-dinitro-1,2-benzothiazol-3-...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(F)cc1)c2=O
Show InChI InChI=1S/C13H6FN3O5S/c14-7-1-3-8(4-2-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)23-15/h1-6H
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n/an/a 100n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 111n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM45772
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)C(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-17(2)15(19)11-6-5-7-12(10-11)18-16(20)13-8-3-4-9-14(13)21-18/h3-10H,1-2H3
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n/an/a 139n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM45772
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)C(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-17(2)15(19)11-6-5-7-12(10-11)18-16(20)13-8-3-4-9-14(13)21-18/h3-10H,1-2H3
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n/an/a 140n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46613
PNG
(2-(3-chloranyl-4-fluoranyl-phenyl)-4,6-dinitro-1,2...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(F)c(Cl)c1)c2=O
Show InChI InChI=1S/C13H5ClFN3O5S/c14-8-3-6(1-2-9(8)15)16-13(19)12-10(18(22)23)4-7(17(20)21)5-11(12)24-16/h1-5H
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n/an/a 193n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46636
PNG
(2-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-4,6-...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(OC(F)(F)Cl)cc1)c2=O
Show InChI InChI=1S/C14H6ClF2N3O6S/c15-14(16,17)26-9-3-1-7(2-4-9)18-13(21)12-10(20(24)25)5-8(19(22)23)6-11(12)27-18/h1-6H
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n/an/a 233n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46629
PNG
(2-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-nitro-...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)sn(-c1cc(ccc1Cl)C(F)(F)F)c2=O
Show InChI InChI=1S/C14H6ClF3N2O3S/c15-10-4-1-7(14(16,17)18)5-11(10)19-13(21)9-3-2-8(20(22)23)6-12(9)24-19/h1-6H
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n/an/a 252n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46626
PNG
(2-(2,3-dichlorophenyl)-6-fluoro-1,2-benzothiazol-3...)
Show SMILES Fc1ccc2c(c1)sn(-c1cccc(Cl)c1Cl)c2=O
Show InChI InChI=1S/C13H6Cl2FNOS/c14-9-2-1-3-10(12(9)15)17-13(18)8-5-4-7(16)6-11(8)19-17/h1-6H
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n/an/a 359n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46624
PNG
(2-(2,5-dichlorophenyl)-6-fluoro-1,2-benzothiazol-3...)
Show SMILES Fc1ccc2c(c1)sn(-c1cc(Cl)ccc1Cl)c2=O
Show InChI InChI=1S/C13H6Cl2FNOS/c14-7-1-4-10(15)11(5-7)17-13(18)9-3-2-8(16)6-12(9)19-17/h1-6H
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n/an/a 385n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM47032
PNG
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
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n/an/a 434n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM34966
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
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n/an/a 457n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM38361
PNG
(2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiaz...)
Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H16N2O3S2/c20-17-15-5-1-2-6-16(15)23-19(17)13-7-9-14(10-8-13)24(21,22)18-11-3-4-12-18/h1-2,5-10H,3-4,11-12H2
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n/an/a 489n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM34966
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
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n/an/a 495n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46635
PNG
(4-azido-6-nitro-2-phenyl-1,2-benzothiazol-3-one | ...)
Show SMILES [O-][N+](=O)c1cc(N=[N+]=[N-])c2c(c1)sn(-c1ccccc1)c2=O
Show InChI InChI=1S/C13H7N5O3S/c14-16-15-10-6-9(18(20)21)7-11-12(10)13(19)17(22-11)8-4-2-1-3-5-8/h1-7H
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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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM34966
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46625
PNG
(2-(2,4-dichlorophenyl)-6-fluoranyl-1,2-benzothiazo...)
Show SMILES Fc1ccc2c(c1)sn(-c1ccc(Cl)cc1Cl)c2=O
Show InChI InChI=1S/C13H6Cl2FNOS/c14-7-1-4-11(10(15)5-7)17-13(18)9-3-2-8(16)6-12(9)19-17/h1-6H
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n/an/a 534n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46645
PNG
(2-(4-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazo...)
Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C17H16N2O4S2/c20-17-15-3-1-2-4-16(15)24-19(17)13-5-7-14(8-6-13)25(21,22)18-9-11-23-12-10-18/h1-8H,9-12H2
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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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46619
PNG
(2-(3-chloranyl-2-methyl-phenyl)-6-nitro-4-[2,2,2-t...)
Show SMILES Cc1c(Cl)cccc1-n1sc2cc(cc(OCC(F)(F)F)c2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H10ClF3N2O4S/c1-8-10(17)3-2-4-11(8)21-15(23)14-12(26-7-16(18,19)20)5-9(22(24)25)6-13(14)27-21/h2-6H,7H2,1H3
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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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46037
PNG
(MLS-0315805.0001 | N,N-diethyl-3-(3-keto-1,2-benzo...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H18N2O3S2/c1-3-18(4-2)24(21,22)14-9-7-8-13(12-14)19-17(20)15-10-5-6-11-16(15)23-19/h5-12H,3-4H2,1-2H3
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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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46037
PNG
(MLS-0315805.0001 | N,N-diethyl-3-(3-keto-1,2-benzo...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H18N2O3S2/c1-3-18(4-2)24(21,22)14-9-7-8-13(12-14)19-17(20)15-10-5-6-11-16(15)23-19/h5-12H,3-4H2,1-2H3
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n/an/a 560n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46621
PNG
(6-fluoranyl-2-[2,4,5-tris(chloranyl)phenyl]-1,2-be...)
Show SMILES Fc1ccc2c(c1)sn(-c1cc(Cl)c(Cl)cc1Cl)c2=O
Show InChI InChI=1S/C13H5Cl3FNOS/c14-8-4-10(16)11(5-9(8)15)18-13(19)7-2-1-6(17)3-12(7)20-18/h1-5H
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n/an/a 564n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46614
PNG
(2-(4-fluorophenyl)-6-nitro-4-(2,2,2-trifluoroethox...)
Show SMILES [O-][N+](=O)c1cc(OCC(F)(F)F)c2c(c1)sn(-c1ccc(F)cc1)c2=O
Show InChI InChI=1S/C15H8F4N2O4S/c16-8-1-3-9(4-2-8)20-14(22)13-11(25-7-15(17,18)19)5-10(21(23)24)6-12(13)26-20/h1-6H,7H2
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n/an/a 577n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46656
PNG
(2-(diethylamino)ethyl 4-(3-oxidanylidene-1,2-benzo...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H22N2O3S/c1-3-21(4-2)13-14-25-20(24)15-9-11-16(12-10-15)22-19(23)17-7-5-6-8-18(17)26-22/h5-12H,3-4,13-14H2,1-2H3
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n/an/a 755n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM61910
PNG
(6-fluoranyl-2-phenyl-1,2-benzothiazol-3-one | 6-fl...)
Show SMILES Fc1ccc2c(c1)sn(-c1ccccc1)c2=O
Show InChI InChI=1S/C13H8FNOS/c14-9-6-7-11-12(8-9)17-15(13(11)16)10-4-2-1-3-5-10/h1-8H
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n/an/a 790n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46057
PNG
(5-fluoranyl-2-phenyl-1,2-benzothiazol-3-one | 5-fl...)
Show SMILES Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C13H8FNOS/c14-9-6-7-12-11(8-9)13(16)15(17-12)10-4-2-1-3-5-10/h1-8H
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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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46036
PNG
(2-[[3-(3-keto-1,2-benzothiazol-2-yl)phenyl]sulfony...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H14N2O5S2/c23-19-16-9-2-4-11-18(16)28-22(19)13-6-5-7-14(12-13)29(26,27)21-17-10-3-1-8-15(17)20(24)25/h1-12,21H,(H,24,25)
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n/an/a 808n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46036
PNG
(2-[[3-(3-keto-1,2-benzothiazol-2-yl)phenyl]sulfony...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H14N2O5S2/c23-19-16-9-2-4-11-18(16)28-22(19)13-6-5-7-14(12-13)29(26,27)21-17-10-3-1-8-15(17)20(24)25/h1-12,21H,(H,24,25)
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n/an/a 810n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46639
PNG
(2-(4-chlorophenyl)naphtho[2,3-g][1,2]benzothiazole...)
Show SMILES Clc1ccc(cc1)-n1sc2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O
Show InChI InChI=1S/C21H10ClNO3S/c22-11-5-7-12(8-6-11)23-21(26)16-10-9-15-17(20(16)27-23)19(25)14-4-2-1-3-13(14)18(15)24/h1-10H
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n/an/a 820n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46044
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)benzoic acid methy...)
Show SMILES COC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11NO3S/c1-19-15(18)10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)20-16/h2-9H,1H3
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n/an/a 820n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46044
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)benzoic acid methy...)
Show SMILES COC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11NO3S/c1-19-15(18)10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)20-16/h2-9H,1H3
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n/an/a 824n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46667
PNG
(2-phenyl-1,2-benzothiazol-3-one | 2-phenyl-1,2-ben...)
Show SMILES O=c1n(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 940n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46667
PNG
(2-phenyl-1,2-benzothiazol-3-one | 2-phenyl-1,2-ben...)
Show SMILES O=c1n(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 941n/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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46035
PNG
(2-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-1,...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCOCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H15ClN2O4S2/c18-14-6-5-12(20-17(21)13-3-1-2-4-15(13)25-20)11-16(14)26(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2
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n/an/a 1.07E+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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46035
PNG
(2-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-1,...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCOCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H15ClN2O4S2/c18-14-6-5-12(20-17(21)13-3-1-2-4-15(13)25-20)11-16(14)26(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46058
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)benzoic acid | 3-(...)
Show SMILES OC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H9NO3S/c16-13-11-6-1-2-7-12(11)19-15(13)10-5-3-4-9(8-10)14(17)18/h1-8H,(H,17,18)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46058
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)benzoic acid | 3-(...)
Show SMILES OC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H9NO3S/c16-13-11-6-1-2-7-12(11)19-15(13)10-5-3-4-9(8-10)14(17)18/h1-8H,(H,17,18)
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n/an/a 1.14E+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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46038
PNG
(4-(3-keto-1,2-benzothiazol-2-yl)benzoic acid ethyl...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H13NO3S/c1-2-20-16(19)11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)21-17/h3-10H,2H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM34336
PNG
(2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O5S2/c25-21-17-3-1-2-4-20(17)30-24(21)19-15-16(31(26,27)23-9-13-29-14-10-23)5-6-18(19)22-7-11-28-12-8-22/h1-6,15H,7-14H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46038
PNG
(4-(3-keto-1,2-benzothiazol-2-yl)benzoic acid ethyl...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H13NO3S/c1-2-20-16(19)11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)21-17/h3-10H,2H2,1H3
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n/an/a 1.24E+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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM47035
PNG
(3-(4-methoxyphenyl)-2-phenyl-1,2,4-thiadiazol-2-iu...)
Show SMILES COc1ccc(cc1)-c1nc(N)s[n+]1-c1ccccc1
Show InChI InChI=1S/C15H13N3OS/c1-19-13-9-7-11(8-10-13)14-17-15(16)20-18(14)12-5-3-2-4-6-12/h2-10,16H,1H3/p+1
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n/an/a 1.25E+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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM34336
PNG
(2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O5S2/c25-21-17-3-1-2-4-20(17)30-24(21)19-15-16(31(26,27)23-9-13-29-14-10-23)5-6-18(19)22-7-11-28-12-8-22/h1-6,15H,7-14H2
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n/an/a 1.27E+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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM34737
PNG
(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Show SMILES Cc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM34737
PNG
(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Show SMILES Cc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
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n/an/a 1.46E+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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46627
PNG
(2-(3-chloranyl-2-methyl-phenyl)-6-fluoranyl-1,2-be...)
Show SMILES Cc1c(Cl)cccc1-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H9ClFNOS/c1-8-11(15)3-2-4-12(8)17-14(18)10-6-5-9(16)7-13(10)19-17/h2-7H,1H3
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n/an/a 1.53E+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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46655
PNG
(2-(3-chloranyl-4-fluoranyl-phenyl)-1,2-benzothiazo...)
Show SMILES Fc1ccc(cc1Cl)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H7ClFNOS/c14-10-7-8(5-6-11(10)15)16-13(17)9-3-1-2-4-12(9)18-16/h1-7H
KEGG

UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 1.79E+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)

More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM34340
PNG
(2-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1,2-b...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H20N2O3S2/c1-14-9-10-15(21-19(22)16-7-3-4-8-17(16)25-21)13-18(14)26(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3
KEGG

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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
phosphatase, orphan 1


(Homo sapiens)
BDBM46655
PNG
(2-(3-chloranyl-4-fluoranyl-phenyl)-1,2-benzothiazo...)
Show SMILES Fc1ccc(cc1Cl)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C13H7ClFNOS/c14-10-7-8(5-6-11(10)15)16-13(17)9-3-1-2-4-12(9)18-16/h1-7H
KEGG

UniProtKB/SwissProt

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AffyNet 
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
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