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Compile Data Set for Download or QSAR

Found 181 hits Enz. Inhib. hit(s) with all data for entry = 4541   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM52712
PNG
((3E)-4-chloranyl-7-methyl-3-(5-oxidanylidene-2-sul...)
Show SMILES Cc1ccc(Cl)c2\C(C(=O)Nc12)=C1/NC(=S)NC1=O
Show InChI InChI=1S/C12H8ClN3O2S/c1-4-2-3-5(13)6-7(10(17)14-8(4)6)9-11(18)16-12(19)15-9/h2-3H,1H3,(H,14,17)(H2,15,16,18,19)/b9-7+
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n/an/a 211n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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 |r|
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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n/an/a 407n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76234
PNG
(GT-RI | MLS002153736 | SMR001231162 | cid_24978587)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
Show InChI InChI=1S/C62H107N19O8/c1-6-41-87-43-45-89-46-44-88-42-32-68-60-69-61(71-62(70-60)79-39-35-77(36-40-79)54(84)28-21-17-13-9-11-15-19-24-30-66-58(86)56(51(5)82)80-47-50(4)72-74-80)78-37-33-76(34-38-78)53(83)27-20-16-12-8-10-14-18-23-29-65-57(85)55(49(3)7-2)81-48-52(73-75-81)26-22-25-31-67-59(63)64/h1,47-49,51,55-56,82H,7-46H2,2-5H3,(H,65,85)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t49-,51-,55-,56+/m0/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76249
PNG
(MLS002171184 | SMR001251481 | [2-[(5-nitro-1,3-thi...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccccc2)s1
Show InChI InChI=1S/C12H9N3O5S/c16-9(14-12-13-6-10(21-12)15(18)19)7-20-11(17)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,16)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM53091
PNG
((2E)-5-nitro-6-oxidanyl-2-[(2Z)-2-(3-oxidanyl-4-ox...)
Show SMILES Oc1[nH+]c(\C=C\[c-]2ccc(=O)c(O)c2)[nH]c(=O)c1[N+]([O-])=O
Show InChI InChI=1S/C12H8N3O6/c16-7-3-1-6(5-8(7)17)2-4-9-13-11(18)10(15(20)21)12(19)14-9/h1-5,17H,(H2,13,14,18,19)/q-1/p+1/b4-2+
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n/an/a 1.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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/a 1.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76182
PNG
(1-(2-nitrophenyl)-3-[[(Z)-(3-oxidanyl-4-oxidanylid...)
Show SMILES Oc1c[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)ccc1=O |w:5.5|
Show InChI InChI=1S/C14H11N4O4S/c19-12-6-5-9(7-13(12)20)8-15-17-14(23)16-10-3-1-2-4-11(10)18(21)22/h1-8,20H,(H2,16,17,23)/q-1/p+1
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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)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76242
PNG
(2-phenoxyacetic acid [2-[(5-nitro-2-thiazolyl)amin...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1
Show InChI InChI=1S/C13H11N3O6S/c17-10(15-13-14-6-11(23-13)16(19)20)7-22-12(18)8-21-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17)
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n/an/a 4.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76205
PNG
(4-Fluoro-N-[4-hydroxy-3-(1H-[1,2,4]triazol-3-ylsul...)
Show SMILES Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Show InChI InChI=1S/C15H13FN4O3S2/c1-9-6-10(16)2-5-14(9)25(22,23)20-11-3-4-12(21)13(7-11)24-15-17-8-18-19-15/h2-8,20-21H,1H3,(H,17,18,19)
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n/an/a 5.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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/a 5.46E+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)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76208
PNG
(1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]-N-[3-(3-...)
Show SMILES Cc1nn(CC=C)cc1CN1CCC(CC1)C(=O)Nc1cccc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H29ClN4O/c1-3-12-31-18-23(19(2)29-31)17-30-13-10-20(11-14-30)26(32)28-25-9-5-7-22(16-25)21-6-4-8-24(27)15-21/h3-9,15-16,18,20H,1,10-14,17H2,2H3,(H,28,32)
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n/an/a 5.84E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43797
PNG
(1-[(4-methoxyphenyl)-phenyl-methyl]-3-[2-(3-prop-1...)
Show SMILES COc1ccc(cc1)C(NC(=O)NC(C)(C)c1cccc(c1)C(C)=C)c1ccccc1
Show InChI InChI=1S/C27H30N2O2/c1-19(2)22-12-9-13-23(18-22)27(3,4)29-26(30)28-25(20-10-7-6-8-11-20)21-14-16-24(31-5)17-15-21/h6-18,25H,1H2,2-5H3,(H2,28,29,30)
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n/an/a 6.55E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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/a 7.87E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46609
PNG
(1,3-bis(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-one...)
Show SMILES O=C(CSc1nnc[nH]1)CSc1nnc[nH]1
Show InChI InChI=1S/C7H8N6OS2/c14-5(1-15-6-8-3-10-12-6)2-16-7-9-4-11-13-7/h3-4H,1-2H2,(H,8,10,12)(H,9,11,13)
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n/an/a 8.85E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM4339
PNG
((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...)
Show SMILES [#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#8]
Show InChI InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H
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n/an/a 9.97E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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/a 1.01E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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/a 1.08E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM61881
PNG
(MLS001158749 | N-(1,1-diketothiolan-3-yl)-N-ethyl-...)
Show SMILES CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C17H20N2O5S3/c1-3-18(12-6-8-27(22,23)10-12)15(20)11(2)19-16(21)14(26-17(19)25)9-13-5-4-7-24-13/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3/b14-9-
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n/an/a 1.11E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76186
PNG
(6-ketobenzo[c]chromene-3,8-disulfonamide | 6-oxida...)
Show SMILES NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(ccc21)S(N)(=O)=O
Show InChI InChI=1S/C13H10N2O6S2/c14-22(17,18)7-1-3-9-10-4-2-8(23(15,19)20)6-12(10)21-13(16)11(9)5-7/h1-6H,(H2,14,17,18)(H2,15,19,20)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76189
PNG
((5-chloranyl-2-oxidanylidene-1,3-benzoxathiol-6-yl...)
Show SMILES Clc1cc2sc(=O)oc2cc1OC(=O)NC1CCCCC1
Show InChI InChI=1S/C14H14ClNO4S/c15-9-6-12-11(20-14(18)21-12)7-10(9)19-13(17)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76223
PNG
(MLS001072189 | N-[3-(3-fluorophenyl)phenyl]-1-[(5-...)
Show SMILES CCCn1ncc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C26H31FN4O/c1-3-12-31-19(2)23(17-28-31)18-30-13-10-20(11-14-30)26(32)29-25-9-5-7-22(16-25)21-6-4-8-24(27)15-21/h4-9,15-17,20H,3,10-14,18H2,1-2H3,(H,29,32)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76211
PNG
(MLS001083154 | N-[3-(3-chlorophenyl)phenyl]-1-cycl...)
Show SMILES Clc1cccc(c1)-c1cccc(NC(=O)C2CCN(CC2)C2CCC2)c1
Show InChI InChI=1S/C22H25ClN2O/c23-19-6-1-4-17(14-19)18-5-2-7-20(15-18)24-22(26)16-10-12-25(13-11-16)21-8-3-9-21/h1-2,4-7,14-16,21H,3,8-13H2,(H,24,26)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76174
PNG
(1-(3,5-dimethoxyphenyl)-3-(3,3-diphenylpropyl)thio...)
Show SMILES COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C24H26N2O2S/c1-27-21-15-20(16-22(17-21)28-2)26-24(29)25-14-13-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-17,23H,13-14H2,1-2H3,(H2,25,26,29)
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n/an/a 1.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76173
PNG
(1-(3,5-Dimethyl-phenyl)-3-(9-thiophen-2-ylmethyl-9...)
Show SMILES [H]C12CCCC([H])(CC(C1)NC(=S)Nc1cc(C)cc(C)c1)N2Cc1cccs1
Show InChI InChI=1S/C22H29N3S2/c1-15-9-16(2)11-17(10-15)23-22(26)24-18-12-19-5-3-6-20(13-18)25(19)14-21-7-4-8-27-21/h4,7-11,18-20H,3,5-6,12-14H2,1-2H3,(H2,23,24,26)
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n/an/a 1.29E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50241354
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-tr...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM60948
PNG
(5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylide...)
Show SMILES OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
Show InChI InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(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/a 1.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM60796
PNG
(1-(4-morpholin-4-ylsulfonylphenyl)-3-[[(Z)-(3-oxid...)
Show SMILES Oc1ccc(C=NNC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1O |w:6.6|
Show InChI InChI=1S/C18H20N4O5S2/c23-16-6-1-13(11-17(16)24)12-19-21-18(28)20-14-2-4-15(5-3-14)29(25,26)22-7-9-27-10-8-22/h1-6,11-12,23-24H,7-10H2,(H2,20,21,28)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76251
PNG
(1-(4-phenylbutyl)-3-[[(2S,5S)-5-[(4-phenylphenyl)m...)
Show SMILES O=C(NCCCCc1ccccc1)NC[C@@H]1CC[C@@H](Cc2ccc(cc2)-c2ccccc2)O1
Show InChI InChI=1S/C29H34N2O2/c32-29(30-20-8-7-11-23-9-3-1-4-10-23)31-22-28-19-18-27(33-28)21-24-14-16-26(17-15-24)25-12-5-2-6-13-25/h1-6,9-10,12-17,27-28H,7-8,11,18-22H2,(H2,30,31,32)/t27-,28-/m0/s1
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n/an/a 1.56E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM60497
PNG
(4-Methyl-furazan-3-carboxylic acid (3,4-dihydroxy-...)
Show SMILES CC1NON=C1C(=O)NN=CC1=CC(=O)C(=O)C=C1 |w:9.9,c:4,18,t:12|
Show InChI InChI=1S/C11H10N4O4/c1-6-10(15-19-14-6)11(18)13-12-5-7-2-3-8(16)9(17)4-7/h2-6,14H,1H3,(H,13,18)
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n/an/a 1.68E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76250
PNG
(2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-y...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1
Show InChI InChI=1S/C18H18N6O3S2/c19-29(26,27)15-3-1-2-13(10-15)21-16(25)11-28-18-23-22-17(24(18)14-4-5-14)12-6-8-20-9-7-12/h1-3,6-10,14H,4-5,11H2,(H,21,25)(H2,19,26,27)
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n/an/a 1.71E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76227
PNG
(MLS001121840 | N-[3-(3-chlorophenyl)phenyl]-1-[[5-...)
Show SMILES COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)o1
Show InChI InChI=1S/C25H27ClN2O3/c1-30-17-24-9-8-23(31-24)16-28-12-10-18(11-13-28)25(29)27-22-7-3-5-20(15-22)19-4-2-6-21(26)14-19/h2-9,14-15,18H,10-13,16-17H2,1H3,(H,27,29)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76219
PNG
(3-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N...)
Show SMILES O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccccc1
Show InChI InChI=1S/C16H15N3O5S/c20-15(18-11-4-2-1-3-5-11)8-9-17-25(22,23)12-6-7-13-14(10-12)24-16(21)19-13/h1-7,10,17H,8-9H2,(H,18,20)(H,19,21)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76204
PNG
(2-[3-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...)
Show SMILES OC(=O)c1cc(O)ccc1NC(=O)CCN1C(=S)S\C(=C/c2ccco2)C1=O
Show InChI InChI=1S/C18H14N2O6S2/c21-10-3-4-13(12(8-10)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/a 1.96E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76247
PNG
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)
Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1
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n/an/a 1.97E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76201
PNG
(MLS001207297 | N-[(5Z)-5-(3,4-dihydroxybenzylidene...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C17H12N2O4S2/c20-12-7-6-10(8-13(12)21)9-14-16(23)19(17(24)25-14)18-15(22)11-4-2-1-3-5-11/h1-9,20-21H,(H,18,22)/b14-9-
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM53907
PNG
(2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-{3-bromo-...)
Show SMILES Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
Show InChI InChI=1S/C11H8BrN6O4S/c12-7-2-6(18(21)22)1-5(10(7)20)4-14-15-8(19)3-9-16-17-11(13)23-9/h1-2,4H,3H2,(H2,13,17)(H,15,19)/q-1/p+1/b14-4+
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n/an/a 2.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76184
PNG
(4-[(2,9-dioxo-1,2,4,5,6,7,8,9-octahydropyrazolo[5,...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c2[nH]c3CCCCc3c(=O)n2[nH]c1=O |w:11.12|
Show InChI InChI=1S/C16H16N6O4S/c17-27(25,26)10-7-5-9(6-8-10)19-20-13-14-18-12-4-2-1-3-11(12)16(24)22(14)21-15(13)23/h5-8,18H,1-4H2,(H,21,23)(H2,17,25,26)/b20-19+
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n/an/a 2.12E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76197
PNG
(3-methoxy-4-oxidanyl-N-[(5E)-4-oxidanylidene-5-(2-...)
Show SMILES COc1cc(ccc1O)C(=O)NN1C(=S)S\C(C1=O)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H13N3O5S2/c1-27-13-8-9(6-7-12(13)23)16(24)21-22-18(26)15(29-19(22)28)14-10-4-2-3-5-11(10)20-17(14)25/h2-8,23H,1H3,(H,20,25)(H,21,24)/b15-14+
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n/an/a 2.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76214
PNG
(CHEMBL1322977 | MLS001096094 | N-(2,5-dimethylphen...)
Show SMILES Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-3-4-12(2)15(9-11)20-17(22)7-8-19-27(24,25)13-5-6-14-16(10-13)26-18(23)21-14/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)(H,21,23)
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n/an/a 2.26E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76221
PNG
(MLS001096126 | N-(2-ethoxybenzyl)-3-[(2-keto-3H-1,...)
Show SMILES CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C19H21N3O6S/c1-2-27-16-6-4-3-5-13(16)12-20-18(23)9-10-21-29(25,26)14-7-8-15-17(11-14)28-19(24)22-15/h3-8,11,21H,2,9-10,12H2,1H3,(H,20,23)(H,22,24)
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n/an/a 2.27E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM57462
PNG
(1-(3-chlorophenyl)-3-(3,3-diphenylpropyl)thiourea ...)
Show SMILES Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C22H21ClN2S/c23-19-12-7-13-20(16-19)25-22(26)24-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21H,14-15H2,(H2,24,25,26)
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n/an/a 2.29E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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/a 2.34E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM52920
PNG
((5E)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-1-methy...)
Show SMILES CN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C12H10N2O3S/c1-14-11(16)9(10(15)13-12(14)18)6-2-4-8-5-3-7-17-8/h2-7H,1H3,(H,13,15,18)/b4-2+,9-6+
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n/an/a 2.35E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM61893
PNG
(3,4-dimethoxybenzoic acid [2-[(5-nitro-2-thiazolyl...)
Show SMILES COc1ccc(cc1OC)C(=O)OCC(=O)Nc1ncc(s1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N3O7S/c1-22-9-4-3-8(5-10(9)23-2)13(19)24-7-11(18)16-14-15-6-12(25-14)17(20)21/h3-6H,7H2,1-2H3,(H,15,16,18)
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n/an/a 2.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76177
PNG
(1-(5-chloranyl-2-methoxy-phenyl)-3-(3,3-diphenylpr...)
Show SMILES COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23ClN2OS/c1-27-22-13-12-19(24)16-21(22)26-23(28)25-15-14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20H,14-15H2,1H3,(H2,25,26,28)
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n/an/a 2.39E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50331546
PNG
(2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzenes...)
Show SMILES Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O |(5.36,3.71,;6.7,2.94,;6.69,1.4,;8.03,.63,;9.35,1.4,;10.69,.62,;10.68,-.91,;9.35,-1.67,;9.34,-3.21,;10.67,-3.98,;12.01,-3.21,;12.01,-1.67,;13.34,-.9,;14.66,-.12,;14.12,-2.23,;12.56,.43,;12.03,1.39,;13.37,.61,;14.72,1.38,;14.73,2.94,;16.06,3.7,;13.38,3.72,;13.38,5.26,;12.04,2.95,;10.69,3.73,;9.36,2.95,;8.02,3.71,;8.02,5.25,)|
Show InChI InChI=1S/C19H12O8S/c20-12-7-5-10-15(9-3-1-2-4-14(9)28(24,25)26)11-6-8-13(21)17(23)19(11)27-18(10)16(12)22/h1-8,20,22-23H,(H,24,25,26)
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n/an/a 2.41E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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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n/an/a 2.43E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76187
PNG
(MLS000690325 | N-ethyl-2-keto-N-phenyl-1,3-dihydro...)
Show SMILES CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C15H13N3O3S/c1-2-18(11-6-4-3-5-7-11)22(20,21)12-8-9-13-14(10-12)17-15(19)16-13/h3-10H,2H2,1H3
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n/an/a 2.49E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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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n/an/a 2.58E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50656
PNG
(MLS000778637 | N-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-...)
Show SMILES Oc1ccccc1C(=O)NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C17H12N2O4S2/c20-13-8-2-1-7-12(13)15(21)18-19-16(22)14(25-17(19)24)9-3-5-11-6-4-10-23-11/h1-10,20H,(H,18,21)/b5-3+,14-9-
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n/an/a 2.59E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
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