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PubChem AID 488873

Compile data set for download or QSAR
Found 87 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
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM32012
PNG
(1-(3,4-Dihydroxy-phenyl)-2-(5-phenyl-4H-[1,2,4]tri...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O3S/c20-12-7-6-11(8-13(12)21)14(22)9-23-16-17-15(18-19-16)10-4-2-1-3-5-10/h1-8,20-21H,9H2,(H,17,18,19)
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n/an/an/an/a 4.24E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM52378
PNG
(MLS000546183 | N-(2-cyanoethyl)-N-({5-[(1-(4-methy...)
Show SMILES Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O
Show InChI InChI=1S/C21H20N4O5S2/c1-14-4-6-15(7-5-14)25-20(27)18(19(26)23-21(25)31)12-16-8-9-17(30-16)13-24(11-3-10-22)32(2,28)29/h4-9,12H,3,11,13H2,1-2H3,(H,23,26,31)
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n/an/an/an/a 3.62E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM59294
PNG
(4-[4-(2-fluorophenyl)-1-piperazinyl]-3-[[(3-methox...)
Show SMILES CCOC(=O)c1ccc(N2CCN(CC2)c2ccccc2F)c(NC(=O)Nc2cccc(OC)c2)c1
Show InChI InChI=1S/C27H29FN4O4/c1-3-36-26(33)19-11-12-25(32-15-13-31(14-16-32)24-10-5-4-9-22(24)28)23(17-19)30-27(34)29-20-7-6-8-21(18-20)35-2/h4-12,17-18H,3,13-16H2,1-2H3,(H2,29,30,34)
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60673
PNG
(2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(Z)-(3-hydroxy...)
Show SMILES Oc1ccc(C=NNC(=O)CSc2nc3ccccc3o2)cc1O
Show InChI InChI=1S/C16H13N3O4S/c20-12-6-5-10(7-13(12)21)8-17-19-15(22)9-24-16-18-11-3-1-2-4-14(11)23-16/h1-8,20-21H,9H2,(H,19,22)
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n/an/an/an/a 6.30E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60889
PNG
(2-[(5E)-5-(3,4-dihydroxybenzylidene)-4-keto-2-thio...)
Show SMILES OC(=O)C(N1C(=S)S\C(=C\c2ccc(O)c(O)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C18H13NO5S2/c20-12-7-6-10(8-13(12)21)9-14-16(22)19(18(25)26-14)15(17(23)24)11-4-2-1-3-5-11/h1-9,15,20-21H,(H,23,24)/b14-9+
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n/an/an/an/a 5.91E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60895
PNG
(4-[3-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...)
Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
Show InChI InChI=1S/C18H14N2O6S2/c21-13-8-10(3-4-12(13)17(24)25)19-15(22)5-6-20-16(23)14(28-18(20)27)9-11-2-1-7-26-11/h1-4,7-9,21H,5-6H2,(H,19,22)(H,24,25)/b14-9-
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n/an/an/an/a 6.62E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76206
PNG
(1-(3,4-dihydroxyphenyl)-2-[4-(2-fluorophenyl)-1-pi...)
Show SMILES Oc1ccc(cc1O)C(=O)CN1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C18H19FN2O3/c19-14-3-1-2-4-15(14)21-9-7-20(8-10-21)12-18(24)13-5-6-16(22)17(23)11-13/h1-6,11,22-23H,7-10,12H2
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM46229
PNG
(4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C16H15ClN2O3S2/c17-12-6-5-10(9-15(12)24(18,21)22)16(20)19-13-7-8-23-14-4-2-1-3-11(13)14/h1-6,9,13H,7-8H2,(H,19,20)(H2,18,21,22)
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n/an/an/an/a 4.94E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76157
PNG
(MLS001096064 | N-(2,4-dimethylphenyl)-2-[(2-keto-3...)
Show SMILES CN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-4-6-14(12(2)8-11)19-17(22)10-21(3)27(24,25)13-5-7-15-16(9-13)26-18(23)20-15/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
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n/an/an/an/a 6.13E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM41894
PNG
(1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-...)
Show SMILES COc1cccc(c1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
Show InChI InChI=1S/C20H19N3O4S/c1-3-9-23-19(14-5-4-6-15(10-14)27-2)21-22-20(23)28-12-18(26)13-7-8-16(24)17(25)11-13/h3-8,10-11,24-25H,1,9,12H2,2H3
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76165
PNG
(2-[[2-[2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]m...)
Show SMILES CN(CCO)c1ccc(CN=Nc2ccc(cc2S(=O)(=O)Nc2ccccc2C(O)=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H23N5O7S/c1-27(12-13-29)17-8-6-16(7-9-17)15-24-25-21-11-10-18(28(32)33)14-22(21)36(34,35)26-20-5-3-2-4-19(20)23(30)31/h2-11,14,26,29H,12-13,15H2,1H3,(H,30,31)
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n/an/an/an/a 2.66E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM52228
PNG
(4-methoxy-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Show InChI InChI=1S/C15H14N4O4S2/c1-23-11-3-5-12(6-4-11)25(21,22)19-10-2-7-13(20)14(8-10)24-15-16-9-17-18-15/h2-9,19-20H,1H3,(H,16,17,18)
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n/an/an/an/a 7.96E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM65301
PNG
(3,4,5-trihydroxybenzohydrazide | 3,4,5-tris(oxidan...)
Show SMILES NNC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H8N2O4/c8-9-7(13)3-1-4(10)6(12)5(11)2-3/h1-2,10-12H,8H2,(H,9,13)
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n/an/an/an/a 8.26E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50606
PNG
(5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-die...)
Show SMILES Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2scc(-c3ccccc3)n12
Show InChI InChI=1S/C19H13N3O3S/c20-17-13(8-11-6-7-15(23)16(24)9-11)18(25)21-19-22(17)14(10-26-19)12-4-2-1-3-5-12/h1-10,24H,20H2/b11-8-
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n/an/an/an/a 6.44E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76195
PNG
(6-Oxo-6H-pyran-3-carboxylic acid N'-(2-bromo-1...)
Show SMILES CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1
Show InChI InChI=1S/C11H11BrN2O4/c1-11(4-7(11)12)10(17)14-13-9(16)6-2-3-8(15)18-5-6/h2-3,5,7H,4H2,1H3,(H,13,16)(H,14,17)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

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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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50703
PNG
(3-[1-(3,4-Dihydroxy-phenyl)-meth-(E)-ylidene]-4-im...)
Show SMILES CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21
Show InChI InChI=1S/C18H13N3O5S2/c1-28(25,26)10-3-4-12-15(8-10)27-18-20-17(24)11(16(19)21(12)18)6-9-2-5-13(22)14(23)7-9/h2-8,23H,19H2,1H3/b9-6-
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n/an/an/an/a 6.10E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76202
PNG
((2-Oxo-3-{4-oxo-3-[(pyridine-3-carbonyl)-amino]-2-...)
Show SMILES CCOC(=O)CN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc12
Show InChI InChI=1S/C21H16N4O5S2/c1-2-30-15(26)11-24-14-8-4-3-7-13(14)16(19(24)28)17-20(29)25(21(31)32-17)23-18(27)12-6-5-9-22-10-12/h3-10H,2,11H2,1H3,(H,23,27)/b17-16-
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n/an/an/an/a 2.55E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM53205
PNG
(1,3-bis[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-...)
Show SMILES O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1
Show InChI InChI=1S/C15H14N4O5/c20-11-3-1-9(5-13(11)22)7-16-18-15(24)19-17-8-10-2-4-12(21)14(23)6-10/h5-8H,1-4H2,(H2,18,19,24)
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n/an/an/an/a 6.62E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76156
PNG
(MLS001030334 | N-(2,4-dimethylphenyl)-2-keto-3H-1,...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C)c1
Show InChI InChI=1S/C15H14N2O4S/c1-9-3-5-12(10(2)7-9)17-22(19,20)11-4-6-13-14(8-11)21-15(18)16-13/h3-8,17H,1-2H3,(H,16,18)
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n/an/an/an/a 6.03E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76217
PNG
(MLS001096114 | N-(2,5-dimethoxyphenyl)-3-[(2-keto-...)
Show SMILES COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C18H19N3O7S/c1-26-11-3-6-15(27-2)14(9-11)20-17(22)7-8-19-29(24,25)12-4-5-13-16(10-12)28-18(23)21-13/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76158
PNG
(MLS001096124 | N-(2-chloranyl-4-methyl-phenyl)-3-[...)
Show SMILES Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(Cl)c1
Show InChI InChI=1S/C17H16ClN3O5S/c1-10-2-4-13(12(18)8-10)20-16(22)6-7-19-27(24,25)11-3-5-14-15(9-11)26-17(23)21-14/h2-5,8-9,19H,6-7H2,1H3,(H,20,22)(H,21,23)
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n/an/an/an/a 2.04E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76159
PNG
(MLS001096125 | N-(3-fluoranyl-4-methyl-phenyl)-3-[...)
Show SMILES Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1F
Show InChI InChI=1S/C17H16FN3O5S/c1-10-2-3-11(8-13(10)18)20-16(22)6-7-19-27(24,25)12-4-5-14-15(9-12)26-17(23)21-14/h2-5,8-9,19H,6-7H2,1H3,(H,20,22)(H,21,23)
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76224
PNG
(MLS001147398 | N-[[(4-hydroxybenzoyl)amino]carbamo...)
Show SMILES Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
Show InChI InChI=1S/C13H11N3O3S2/c17-9-5-3-8(4-6-9)11(18)15-16-13(20)14-12(19)10-2-1-7-21-10/h1-7,17H,(H,15,18)(H2,14,16,19,20)
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60951
PNG
(MLS001158810 | N-(1,1-diketothiolan-3-yl)-2-[(5Z)-...)
Show SMILES O=C(CN1C(=S)S\C(=C/c2ccco2)C1=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C14H14N2O5S3/c17-12(15-9-3-5-24(19,20)8-9)7-16-13(18)11(23-14(16)22)6-10-2-1-4-21-10/h1-2,4,6,9H,3,5,7-8H2,(H,15,17)/b11-6-
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60983
PNG
((E)-2-(3,4-dihydroxybenzoyl)-3-(4-hydroxy-3-iodo-5...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
Show InChI InChI=1S/C17H12INO5/c1-24-15-6-9(5-12(18)17(15)23)4-11(8-19)16(22)10-2-3-13(20)14(21)7-10/h2-7,20-21,23H,1H3/b11-4+
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM39617
PNG
(3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-benzop...)
Show SMILES CNc1nnc(s1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C12H9N3O2S/c1-13-12-15-14-10(18-12)8-6-7-4-2-3-5-9(7)17-11(8)16/h2-6H,1H3,(H,13,15)
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM34475
PNG
(9-bromanyl-4-oxidanyl-6H-chromeno[2,3-b]indol-3-on...)
Show SMILES Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
Show InChI InChI=1S/C15H8BrNO3/c16-8-2-3-11-9(6-8)10-5-7-1-4-12(18)13(19)14(7)20-15(10)17-11/h1-6,17,19H
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n/an/an/an/a 2.12E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76172
PNG
(2-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O)C(O)=O
Show InChI InChI=1S/C19H12N2O6S3/c22-15(23)8-11(18(25)26)21-17(24)14(30-19(21)28)7-9-5-6-12(27-9)16-20-10-3-1-2-4-13(10)29-16/h1-7,11H,8H2,(H,22,23)(H,25,26)/b14-7-
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50304
PNG
(MLS000720395 | SMR000236300 | cid_15944832 | sodiu...)
Show SMILES [O-]c1ccc(cc1[N+]([O-])=O)S(=O)(=O)c1ccc([O-])c(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H8N2O8S/c15-11-3-1-7(5-9(11)13(17)18)23(21,22)8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H/p-2
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM48826
PNG
(8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quin...)
Show SMILES CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c1-8(17)9-5-6-13-12(7-9)10-3-2-4-11(10)14(16-13)15(18)19/h2-3,5-7,10-11,14,16H,4H2,1H3,(H,18,19)
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50489
PNG
((5E)-5-[(5-methyl-2-furanyl)methylidene]-4-sulfany...)
Show SMILES Cc1ccc(C=C2SC(O)=NC2=S)o1
Show InChI InChI=1S/C9H7NO2S2/c1-5-2-3-6(12-5)4-7-8(13)10-9(11)14-7/h2-4H,1H3,(H,10,11,13)
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n/an/an/an/a 4.14E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76161
PNG
(2,4,5-trimethyl-N-[4-oxidanyl-3-(1H-1,2,4-triazol-...)
Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Show InChI InChI=1S/C17H18N4O3S2/c1-10-6-12(3)16(7-11(10)2)26(23,24)21-13-4-5-14(22)15(8-13)25-17-18-9-19-20-17/h4-9,21-22H,1-3H3,(H,18,19,20)
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n/an/an/an/a 2.25E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60945
PNG
(5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-die...)
Show SMILES Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12
Show InChI InChI=1S/C18H17N5O4S/c19-16-11(7-10-3-4-12(24)13(25)8-10)17(27)20-18-23(16)21-14(28-18)9-15(26)22-5-1-2-6-22/h3-4,7-8,25H,1-2,5-6,9,19H2/b10-7-
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n/an/an/an/a 9.70E+3n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76163
PNG
(Luteoskyrin | MLS000563067 | SMR001215838 | cid_44...)
Show SMILES Cc1cc(O)c2C(O)=C3C(=O)[C@@H]4[C@@H](O)[C@H]5[C@@H]6[C@H](O)[C@@H](C(=O)C7=C(O)c8c(O)cc(C)c(O)c8C(=O)[C@@]467)[C@@]35C(=O)c2c1O
Show InChI InChI=1S/C30H22O12/c1-5-3-7(31)9-11(19(5)33)27(41)29-13-14-24(38)17(29)26(40)16-22(36)10-8(32)4-6(2)20(34)12(10)28(42)30(14,16)18(23(13)37)25(39)15(29)21(9)35/h3-4,13-14,17-18,23-24,31-38H,1-2H3/t13-,14-,17+,18+,23+,24+,29+,30+/m1/s1
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n/an/an/an/a 6.33E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76248
PNG
(2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4R,5S,6R)-6-...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C27H30O16/c1-8-17(33)19(35)21(37)26(39-8)42-24-15(7-28)41-27(22(38)20(24)36)43-25-18(34)16-13(32)5-10(29)6-14(16)40-23(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-22,24,26-31,33-38H,7H2,1H3/t8-,15+,17-,19+,20+,21+,22+,24+,26-,27-/m0/s1
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n/an/an/an/a 2.20E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76153
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[(Z)-4-methox...)
Show SMILES COc1ccc(cc1)\N=C1/SC(CC(=O)N1CCc1ccc(OC)c(OC)c1)C(N)=O
Show InChI InChI=1S/C22H25N3O5S/c1-28-16-7-5-15(6-8-16)24-22-25(20(26)13-19(31-22)21(23)27)11-10-14-4-9-17(29-2)18(12-14)30-3/h4-9,12,19H,10-11,13H2,1-3H3,(H2,23,27)/b24-22-
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n/an/an/an/a 5.96E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60597
PNG
((E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(6-hydroxy...)
Show SMILES Oc1ccc2occ(\C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
Show InChI InChI=1S/C20H11N3O4S/c21-9-11(19(26)23-20-22-15-3-1-2-4-17(15)28-20)7-12-10-27-16-6-5-13(24)8-14(16)18(12)25/h1-8,10,24H,(H,22,23,26)/b11-7+
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n/an/an/an/a 8.15E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50263183
PNG
((+)-haematoxylin | (+)-hematoxylin | (6aS,11bR)-7,...)
Show SMILES Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O
Show InChI InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1
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n/an/an/an/a 5.00E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50648
PNG
(MLS000762704 | N-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-...)
Show SMILES O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1
Show InChI InChI=1S/C16H11N3O3S2/c20-14(11-6-8-17-9-7-11)18-19-15(21)13(24-16(19)23)5-1-3-12-4-2-10-22-12/h1-10H,(H,18,20)/b3-1+,13-5-
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76155
PNG
(2-amino-3-phenoxazinone | 2-aminophenoxazin-3-one ...)
Show SMILES Nc1cc2nc3ccccc3oc2cc1=O
Show InChI InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2
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n/an/an/an/a 7.21E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM52946
PNG
(2-(3,4-dihydroxyphenyl)acetic acid | 2-[3,4-bis(ox...)
Show SMILES OC(=O)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50027326
PNG
((1R)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroiso...)
Show SMILES Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12-/m1/s1
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60944
PNG
(5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-die...)
Show SMILES Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCCC3)nn12
Show InChI InChI=1S/C19H19N5O4S/c20-17-12(8-11-4-5-13(25)14(26)9-11)18(28)21-19-24(17)22-15(29-19)10-16(27)23-6-2-1-3-7-23/h4-5,8-9,26H,1-3,6-7,10,20H2/b11-8-
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n/an/an/an/a 2.13E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76231
PNG
(KI-KE | MLS002153715 | SMR001231141 | cid_24978582)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C67H116N18O9/c1-4-47-92-49-51-94-52-50-93-48-38-72-65-73-66(82-43-39-80(40-44-82)59(86)30-22-14-10-6-8-12-16-26-36-70-63(90)58(32-33-61(88)89)84-53-56(76-78-84)28-20-18-24-34-68)75-67(74-65)83-45-41-81(42-46-83)60(87)31-23-15-11-7-9-13-17-27-37-71-64(91)62(55(3)5-2)85-54-57(77-79-85)29-21-19-25-35-69/h1,53-55,58,62H,5-52,68-69H2,2-3H3,(H,70,90)(H,71,91)(H,88,89)(H,72,73,74,75)/t55-,58+,62-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM34235
PNG
(2-[[7-[(Z)-3-chlorobut-2-enyl]-2,6-diketo-3-methyl...)
Show SMILES CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl
Show InChI InChI=1S/C15H19ClN4O4S/c1-5-24-13(22)9(3)25-15-17-11-10(20(15)7-6-8(2)16)12(21)18-14(23)19(11)4/h6,9H,5,7H2,1-4H3,(H,18,21,23)/b8-6-
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n/an/an/an/a 7.42E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM40697
PNG
(4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1,2...)
Show SMILES Oc1ccc(cc1O)-c1cn2CCSc2n1
Show InChI InChI=1S/C11H10N2O2S/c14-9-2-1-7(5-10(9)15)8-6-13-3-4-16-11(13)12-8/h1-2,5-6,14-15H,3-4H2
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n/an/an/an/a 2.21E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM59274
PNG
(2-{4-[3-(4-Isopropyl-phenyl)-ureido]-piperidin-1-y...)
Show SMILES CC(C)c1ccc(NC(=O)NC2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
Show InChI InChI=1S/C27H32N4O2/c1-19(2)20-10-12-22(13-11-20)28-27(33)29-23-14-16-31(17-15-23)18-26(32)30-25-9-5-7-21-6-3-4-8-24(21)25/h3-13,19,23H,14-18H2,1-2H3,(H,30,32)(H2,28,29,33)
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM57870
PNG
((2Z)-1-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H23N2S2/c1-4-25-18(8-7-17-14-16(3)6-9-20(17)25)15-23-26(5-2)24-19-12-13-27-21(19)10-11-22(24)28-23/h6-15H,4-5H2,1-3H3/q+1
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n/an/an/an/a 6.18E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50570
PNG
(1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one | 3-hy...)
Show SMILES OCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
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n/an/an/an/a 1.13E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50629
PNG
((5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-3-(4-hy...)
Show SMILES Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C16H11NO3S2/c18-12-8-6-11(7-9-12)17-15(19)14(22-16(17)21)5-1-3-13-4-2-10-20-13/h1-10,18H/b3-1+,14-5-
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n/an/an/an/a 8.47E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60955
PNG
(4-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-6-9(3-4-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM61884
PNG
(2-[5-(2,5-dihydroxyphenyl)sulfonylnaphthalen-1-yl]...)
Show SMILES Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C22H16O8S2/c23-13-7-9-17(25)21(11-13)31(27,28)19-5-1-3-15-16(19)4-2-6-20(15)32(29,30)22-12-14(24)8-10-18(22)26/h1-12,23-26H
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n/an/an/an/a 1.50E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM34465
PNG
(2,5-dimethoxy-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Show InChI InChI=1S/C16H16N4O5S2/c1-24-11-4-6-13(25-2)15(8-11)27(22,23)20-10-3-5-12(21)14(7-10)26-16-17-9-18-19-16/h3-9,20-21H,1-2H3,(H,17,18,19)
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n/an/an/an/a 7.47E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76175
PNG
(1-[1-(3-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl...)
Show SMILES COc1cccc(c1)C(C)NC(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N2O2/c1-11(12-5-3-8-15(9-12)24-2)21-16(23)22-14-7-4-6-13(10-14)17(18,19)20/h3-11H,1-2H3,(H2,21,22,23)
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50993
PNG
((6E)-5-azanylidene-3-methylsulfanyl-6-[(6-oxidanyl...)
Show SMILES CSC1=NSC2=NC(=O)\C(=C\c3coc4ccc(O)cc4c3=O)C(=N)N12
Show InChI InChI=1S/C16H10N4O4S2/c1-25-16-19-26-15-18-14(23)10(13(17)20(15)16)4-7-6-24-11-3-2-8(21)5-9(11)12(7)22/h2-6,17,21H,1H3/b10-4+,17-13?
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n/an/an/an/a 2.49E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76183
PNG
(2,5-dimethyl-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-y...)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Show InChI InChI=1S/C16H16N4O3S2/c1-10-3-4-11(2)15(7-10)25(22,23)20-12-5-6-13(21)14(8-12)24-16-17-9-18-19-16/h3-9,20-21H,1-2H3,(H,17,18,19)
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n/an/an/an/a 1.19E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM43818
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzox...)
Show SMILES CCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C\c1oc2ccc(cc2[n+]1CC)-c1ccccc1
Show InChI InChI=1S/C33H29N2O2/c1-3-34-28-22-26(24-12-7-5-8-13-24)18-20-30(28)36-32(34)16-11-17-33-35(4-2)29-23-27(19-21-31(29)37-33)25-14-9-6-10-15-25/h5-23H,3-4H2,1-2H3/q+1
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n/an/an/an/a 2.42E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM61867
PNG
(2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H
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n/an/an/an/a 8.10E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50727
PNG
(4-[5-[(Z)-[3-(1,1-diketothiolan-3-yl)-4-keto-2-thi...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C3CCS(=O)(=O)C3)C2=O)o1
Show InChI InChI=1S/C18H16N2O6S4/c19-30(24,25)14-4-1-11(2-5-14)15-6-3-13(26-15)9-16-17(21)20(18(27)28-16)12-7-8-29(22,23)10-12/h1-6,9,12H,7-8,10H2,(H2,19,24,25)/b16-9-
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n/an/an/an/a 2.94E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50729
PNG
(MLS000778639 | N-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-...)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/C=C/c1ccco1
Show InChI InChI=1S/C16H12N2O4S3/c19-15-14(10-4-6-12-7-5-11-22-12)24-16(23)18(15)17-25(20,21)13-8-2-1-3-9-13/h1-11,17H/b6-4+,14-10-
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60859
PNG
(5-[(5-bromanylthiophen-2-yl)methylidene]-2-sulfany...)
Show SMILES Brc1ccc(C=C2C(=O)NC(=S)NC2=O)s1
Show InChI InChI=1S/C9H5BrN2O2S2/c10-6-2-1-4(16-6)3-5-7(13)11-9(15)12-8(5)14/h1-3H,(H2,11,12,13,14,15)
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n/an/an/an/a 7.68E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM53069
PNG
(4-[2-(2-pyridinylamino)-4-thiazolyl]benzene-1,2-di...)
Show SMILES Oc1ccc(cc1O)-c1csc(Nc2ccccn2)n1
Show InChI InChI=1S/C14H11N3O2S/c18-11-5-4-9(7-12(11)19)10-8-20-14(16-10)17-13-3-1-2-6-15-13/h1-8,18-19H,(H,15,16,17)
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n/an/an/an/a 4.87E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM61242
PNG
(4-methyl-N-[5-[2-oxidanylidene-2-[2-[(Z)-(3-oxidan...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)c(O)c2)s1
Show InChI InChI=1S/C19H17N5O4S/c1-11-2-5-13(6-3-11)18(28)21-19-24-23-17(29-19)9-16(27)22-20-10-12-4-7-14(25)15(26)8-12/h2-8,10,25-26H,9H2,1H3,(H,22,27)(H,21,24,28)
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n/an/an/an/a 6.60E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76209
PNG
(MLS001072569 | N-[3-(3-chlorophenyl)phenyl]-1-[(1,...)
Show SMILES Cc1c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cnn1C
Show InChI InChI=1S/C24H27ClN4O/c1-17-21(15-26-28(17)2)16-29-11-9-18(10-12-29)24(30)27-23-8-4-6-20(14-23)19-5-3-7-22(25)13-19/h3-8,13-15,18H,9-12,16H2,1-2H3,(H,27,30)
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n/an/an/an/a 3.72E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76212
PNG
(3-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N...)
Show SMILES COc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C18H19N3O6S/c1-26-15-5-3-2-4-12(15)11-19-17(22)8-9-20-28(24,25)13-6-7-14-16(10-13)27-18(23)21-14/h2-7,10,20H,8-9,11H2,1H3,(H,19,22)(H,21,23)
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n/an/an/an/a 4.51E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM64368
PNG
(MLS001096044 | N-(5-chloranyl-2,4-dimethoxy-phenyl...)
Show SMILES COc1cc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
Show InChI InChI=1S/C18H18ClN3O7S/c1-22(30(25,26)10-4-5-12-16(6-10)29-18(24)21-12)9-17(23)20-13-7-11(19)14(27-2)8-15(13)28-3/h4-8H,9H2,1-3H3,(H,20,23)(H,21,24)
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n/an/an/an/a 6.84E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76162
PNG
(5-bromo-2-furancarboxylic acid [2-[(5-nitro-2-thia...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccc(Br)o2)s1
Show InChI InChI=1S/C10H6BrN3O6S/c11-6-2-1-5(20-6)9(16)19-4-7(15)13-10-12-3-8(21-10)14(17)18/h1-3H,4H2,(H,12,13,15)
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n/an/an/an/a 6.84E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM34745
PNG
((4Z)-4-[[2-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hy...)
Show SMILES Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1O
Show InChI InChI=1S/C19H24N6O2/c26-15-6-5-14(11-16(15)27)13-20-23-17-12-18(24-7-1-2-8-24)22-19(21-17)25-9-3-4-10-25/h5-6,11-12,26-27H,1-4,7-10,13H2
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76154
PNG
((5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2-...)
Show SMILES Cc1cc(C=C2SC(S)=NC2=O)c(C)[nH]1
Show InChI InChI=1S/C10H10N2OS2/c1-5-3-7(6(2)11-5)4-8-9(13)12-10(14)15-8/h3-4,11H,1-2H3,(H,12,13,14)/b8-4-
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n/an/an/an/a 6.80E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50269745
PNG
(CHEMBL463175 | Cephalochromin | cid_160115)
Show SMILES CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)CC(C)Oc3cc12
Show InChI InChI=1S/C28H22O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h5-10,31-36H,3-4H2,1-2H3
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n/an/an/an/a 2.17E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM69393
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydroc...)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2
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n/an/an/an/a 5.04E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50578
PNG
(3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl...)
Show SMILES OCC1OC(OC(CCc2ccccc2)CC(O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C17H24O8/c18-9-12-14(21)15(22)16(23)17(25-12)24-11(8-13(19)20)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-18,21-23H,6-9H2,(H,19,20)
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n/an/an/an/a 5.92E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50704
PNG
(5-[1-(3-Chloro-propyl)-2,3-dihydro-1H-indol-5-ylme...)
Show SMILES ClCCCN1CCc2cc(C=C3C(=O)NC(=S)NC3=O)ccc12
Show InChI InChI=1S/C16H16ClN3O2S/c17-5-1-6-20-7-4-11-8-10(2-3-13(11)20)9-12-14(21)18-16(23)19-15(12)22/h2-3,8-9H,1,4-7H2,(H2,18,19,21,22,23)
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n/an/an/an/a 9.63E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM52992
PNG
(4,5,7,8-tetrahydroxy-1,2-naphthoquinone | 4,5,7,8-...)
Show SMILES Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
Show InChI InChI=1S/C10H6O6/c11-3-1-5(13)9(15)8-7(3)4(12)2-6(14)10(8)16/h1,11,13,15H,2H2
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75676
PNG
(1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-N-[3-...)
Show SMILES CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C26H31FN4O/c1-4-31-19(3)25(18(2)29-31)17-30-13-11-20(12-14-30)26(32)28-24-10-6-8-22(16-24)21-7-5-9-23(27)15-21/h5-10,15-16,20H,4,11-14,17H2,1-3H3,(H,28,32)
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60950
PNG
(4-[2-[(5E)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...)
Show SMILES CC(N1C(=S)S\C(=C\c2ccco2)C1=O)C(=O)Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C18H14N2O6S2/c1-9(15(22)19-10-4-5-12(17(24)25)13(21)7-10)20-16(23)14(28-18(20)27)8-11-3-2-6-26-11/h2-9,21H,1H3,(H,19,22)(H,24,25)/b14-8+
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n/an/an/an/a 5.08E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50252093
PNG
(6-hydroxybenzo[d][1,3]oxathiol-2-one | CHEMBL44268...)
Show SMILES Oc1ccc2sc(=O)oc2c1
Show InChI InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H
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n/an/an/an/a 8.33E+3n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76164
PNG
(2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-...)
Show SMILES Cc1sc2nc(SCC(=O)Nc3cccc(c3)S(N)(=O)=O)[nH]c(=O)c2c1C
Show InChI InChI=1S/C16H16N4O4S3/c1-8-9(2)26-15-13(8)14(22)19-16(20-15)25-7-12(21)18-10-4-3-5-11(6-10)27(17,23)24/h3-6H,7H2,1-2H3,(H,18,21)(H2,17,23,24)(H,19,20,22)
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n/an/an/an/a 3.67E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM39759
PNG
(2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethy...)
Show SMILES CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H18N4O3S3/c1-2-24-18(11-29-20-21-13-5-3-4-6-17(13)30-20)22-23-19(24)28-10-16(27)12-7-8-14(25)15(26)9-12/h3-9,25-26H,2,10-11H2,1H3
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM63549
PNG
(MLS000710930 | N,N-dimethyl-4-[(1-methyl-2-benzimi...)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1nc2ccccc2n1C
Show InChI InChI=1S/C16H17N5/c1-20(2)13-10-8-12(9-11-13)18-19-16-17-14-6-4-5-7-15(14)21(16)3/h4-11H,1-3H3/b19-18+
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM55150
PNG
((4Z)-2-hydroxy-4-[[2-[(Z)-(3-hydroxy-4-oxocyclohex...)
Show SMILES Oc1ccc(C=NN=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C14H12N2O4/c17-11-3-1-9(5-13(11)19)7-15-16-8-10-2-4-12(18)14(20)6-10/h1-8,17-20H
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n/an/an/an/a 2.73E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM53221
PNG
(2-[2-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-yli...)
Show SMILES Cc1cc(=O)[nH]c(N=NCc2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C12H12N4O3/c1-7-4-11(19)15-12(14-7)16-13-6-8-2-3-9(17)10(18)5-8/h2-5,17-18H,6H2,1H3,(H,14,15,19)
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n/an/an/an/a 6.62E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76218
PNG
(MLS001096133 | N-(3-chlorophenyl)-2-[(2-keto-3H-1,...)
Show SMILES CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C16H14ClN3O5S/c1-20(9-15(21)18-11-4-2-3-10(17)7-11)26(23,24)12-5-6-13-14(8-12)25-16(22)19-13/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
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n/an/an/an/a>1.00E+5n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM76160
PNG
(MLS001096135 | N-(3-chloranyl-4-methoxy-phenyl)-3-...)
Show SMILES COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
Show InChI InChI=1S/C17H16ClN3O6S/c1-26-14-5-2-10(8-12(14)18)20-16(22)6-7-19-28(24,25)11-3-4-13-15(9-11)27-17(23)21-13/h2-5,8-9,19H,6-7H2,1H3,(H,20,22)(H,21,23)
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n/an/an/an/a 4.28E+4n/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/Q29G5K8R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/an/an/a 6.36E+3n/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/Q29G5K8R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%