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Compile Data Set for Download or QSAR

Found 150 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4530   
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 (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<195n/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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76193
PNG
((2Z)-2-[2-[2-(3-methoxy-3-oxidanylidene-propyliden...)
Show SMILES COC(=O)CC=NNC1=NC(=O)C(S1)=CC(O)=O |w:6.6,14.15,t:8|
Show InChI InChI=1S/C9H9N3O5S/c1-17-7(15)2-3-10-12-9-11-8(16)5(18-9)4-6(13)14/h3-4H,2H2,1H3,(H,13,14)(H,11,12,16)
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n/an/a 1.74E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 2.10E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 2.12E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM54140
PNG
(MLS001043248 | N-[(5Z)-4-keto-5-(2-ketoindolin-3-y...)
Show SMILES O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C18H11N3O3S2/c22-15(10-6-2-1-3-7-10)20-21-17(24)14(26-18(21)25)13-11-8-4-5-9-12(11)19-16(13)23/h1-9H,(H,19,23)(H,20,22)/b14-13-
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n/an/a 3.09E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60858
PNG
(4-[2-(1-naphthalenylamino)-4-thiazolyl]benzene-1,2...)
Show SMILES Oc1ccc(cc1O)-c1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C19H14N2O2S/c22-17-9-8-13(10-18(17)23)16-11-24-19(21-16)20-15-7-3-5-12-4-1-2-6-14(12)15/h1-11,22-23H,(H,20,21)
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n/an/a 3.36E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 3.54E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 3.79E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 4.06E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 4.34E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76222
PNG
(MLS001072174 | N-[3-(3-chlorophenyl)phenyl]-1-[(1-...)
Show SMILES CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H31ClN4O/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 4.61E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76169
PNG
(4-ethoxy-N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylsulf...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Show InChI InChI=1S/C16H16N4O4S2/c1-2-24-12-4-6-13(7-5-12)26(22,23)20-11-3-8-14(21)15(9-11)25-16-17-10-18-19-16/h3-10,20-21H,2H2,1H3,(H,17,18,19)
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n/an/a 5.04E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 7.33E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 7.73E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50201
PNG
((E)-3-(2-furanyl)-N-[(4-sulfamoylanilino)-sulfanyl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:15.15|
Show InChI InChI=1S/C14H13N3O4S2/c15-23(19,20)12-6-3-10(4-7-12)16-14(22)17-13(18)8-5-11-2-1-9-21-11/h1-9H,(H2,15,19,20)(H2,16,17,18,22)
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n/an/a 8.09E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 8.64E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 8.96E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 9.42E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 9.58E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 9.59E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76210
PNG
(1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]...)
Show SMILES CC(C)n1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C27H33FN4O/c1-18(2)32-20(4)26(19(3)30-32)17-31-13-11-21(12-14-31)27(33)29-25-10-6-8-23(16-25)22-7-5-9-24(28)15-22/h5-10,15-16,18,21H,11-14,17H2,1-4H3,(H,29,33)
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n/an/a 1.20E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60915
PNG
((E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(5-quinoliny...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
Show InChI InChI=1S/C19H13N3O3/c20-11-13(9-12-6-7-17(23)18(24)10-12)19(25)22-16-5-1-4-15-14(16)3-2-8-21-15/h1-10,23-24H,(H,22,25)/b13-9+
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n/an/a 1.25E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 1.32E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60707
PNG
((4Z)-4-[[[4-(2-furanyl)-2-methylimino-3-thiazolyl]...)
Show SMILES CN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1 |w:12.13,1.0|
Show InChI InChI=1S/C15H13N3O3S/c1-16-15-18(11(9-22-15)14-3-2-6-21-14)17-8-10-4-5-12(19)13(20)7-10/h2-9,19-20H,1H3
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n/an/a 1.34E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 1.40E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76232
PNG
(KI-SM | MLS002153719 | SMR001231145 | cid_24978594)
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](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1
Show InChI InChI=1S/C64H111N17O8S/c1-5-44-87-46-48-89-49-47-88-45-34-68-62-69-63(78-39-35-76(36-40-78)57(83)27-21-15-11-7-9-13-17-24-32-66-60(85)56(30-50-90-4)80-51-55(29-43-82)73-74-80)71-64(70-62)79-41-37-77(38-42-79)58(84)28-22-16-12-8-10-14-18-25-33-67-61(86)59(53(3)6-2)81-52-54(72-75-81)26-20-19-23-31-65/h1,51-53,56,59,82H,6-50,65H2,2-4H3,(H,66,85)(H,67,86)(H,68,69,70,71)/t53-,56+,59-/m0/s1
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n/an/a 1.43E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 1.43E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 1.59E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 1.83E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM60675
PNG
((5E)-2-amino-5-(2-furanylmethylidene)-4-thiazolone...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccco1 |w:7.8,t:1|
Show InChI InChI=1S/C8H6N2O2S/c9-8-10-7(11)6(13-8)4-5-2-1-3-12-5/h1-4H,(H2,9,10,11)
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n/an/a 1.98E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75790
PNG
(3-[(4-hydroxy-3-methoxybenzylidene)amino]-2-thioxo...)
Show SMILES COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
Show InChI InChI=1S/C11H10N2O3S2/c1-16-9-4-7(2-3-8(9)14)5-12-13-10(15)6-18-11(13)17/h2-6,14-15H,1H3
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n/an/a 2.13E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM53139
PNG
(4-[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]ben...)
Show SMILES OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:14.14|
Show InChI InChI=1S/C15H12N2O4S/c18-13(8-7-12-2-1-9-21-12)17-15(22)16-11-5-3-10(4-6-11)14(19)20/h1-9H,(H,19,20)(H2,16,17,18,22)
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n/an/a 2.18E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76166
PNG
(1-(m-tolyl)-3-(9-p-anisyl-9-azabicyclo[3.3.1]nonan...)
Show SMILES [H]C12CCCC([H])(CC(C1)NC(=O)Nc1cccc(C)c1)N2Cc1ccc(OC)cc1
Show InChI InChI=1S/C24H31N3O2/c1-17-5-3-6-19(13-17)25-24(28)26-20-14-21-7-4-8-22(15-20)27(21)16-18-9-11-23(29-2)12-10-18/h3,5-6,9-13,20-22H,4,7-8,14-16H2,1-2H3,(H2,25,26,28)
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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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 2.36E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50710
PNG
(2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,3-dihydroc...)
Show SMILES Oc1ccc(cc1O)C1CC(=O)c2ccc(O)c(O)c2O1
Show InChI InChI=1S/C15H12O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-5,13,16-17,19-20H,6H2
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n/an/a 2.48E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76240
PNG
(MLS002181668 | N'-[1,4-dioxo-4-(4-pentoxyphenyl)bu...)
Show SMILES CCCCCOc1ccc(cc1)C(=O)CCC(=O)NNC(=O)c1ccncc1
Show InChI InChI=1S/C21H25N3O4/c1-2-3-4-15-28-18-7-5-16(6-8-18)19(25)9-10-20(26)23-24-21(27)17-11-13-22-14-12-17/h5-8,11-14H,2-4,9-10,15H2,1H3,(H,23,26)(H,24,27)
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n/an/a 2.56E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM39735
PNG
(MLS000566764 | N-(diphenylmethyl)-2-[methyl-[(4-ox...)
Show SMILES CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C25H24N4O2/c1-29(16-22-26-21-15-9-8-14-20(21)25(31)27-22)17-23(30)28-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,24H,16-17H2,1H3,(H,28,30)(H,26,27,31)
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n/an/a 2.66E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 2.69E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM74492
PNG
(1-cyclohexyl-3-(2,4-dichlorobenzyl)thiourea | 1-cy...)
Show SMILES Clc1ccc(CNC(=S)NC2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C14H18Cl2N2S/c15-11-7-6-10(13(16)8-11)9-17-14(19)18-12-4-2-1-3-5-12/h6-8,12H,1-5,9H2,(H2,17,18,19)
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n/an/a 2.92E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 3.07E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 3.38E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76244
PNG
(MLS002153700 | SM-TG | SMR001231078 | cid_25163005)
Show SMILES CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCO)nn1
Show InChI InChI=1S/C58H98N16O9S/c1-4-37-81-39-41-83-42-40-82-38-27-61-56-62-57(71-32-28-69(29-33-71)53(78)21-17-13-9-5-7-11-15-19-25-59-52(77)47-73-45-50(66-67-73)44-48(2)76)64-58(63-56)72-34-30-70(31-35-72)54(79)22-18-14-10-6-8-12-16-20-26-60-55(80)51(24-43-84-3)74-46-49(23-36-75)65-68-74/h1,45-46,48,51,75-76H,5-44,47H2,2-3H3,(H,59,77)(H,60,80)(H,61,62,63,64)/t48-,51-/m1/s1
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n/an/a 3.63E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM57432
PNG
(1-(3-chloranyl-2-methyl-phenyl)-3-(3,3-diphenylpro...)
Show SMILES Cc1c(Cl)cccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23ClN2S/c1-17-21(24)13-8-14-22(17)26-23(27)25-16-15-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,20H,15-16H2,1H3,(H2,25,26,27)
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n/an/a 4.24E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 4.41E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM53121
PNG
((5E)-5-(2-furanylmethylidene)-1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:15.16|
Show InChI InChI=1S/C16H12N2O4S/c1-21-11-6-4-10(5-7-11)18-15(20)13(14(19)17-16(18)23)9-12-3-2-8-22-12/h2-9H,1H3,(H,17,19,23)
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n/an/a 4.60E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM61326
PNG
(1-N',2-N'-bis[(E)-(2-hydroxy-4-oxocyclohexa-2,5-di...)
Show SMILES Oc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(O)cc2O)c(O)c1 |w:6.6,13.12|
Show InChI InChI=1S/C16H14N4O6/c21-11-3-1-9(13(23)5-11)7-17-19-15(25)16(26)20-18-8-10-2-4-12(22)6-14(10)24/h1-8,21-24H,(H,19,25)(H,20,26)
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n/an/a 5.13E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(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 5.77E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76228
PNG
(1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(phenyl...)
Show SMILES S=C(NCc1ccccc1)NC1CCSc2ccccc12
Show InChI InChI=1S/C17H18N2S2/c20-17(18-12-13-6-2-1-3-7-13)19-15-10-11-21-16-9-5-4-8-14(15)16/h1-9,15H,10-12H2,(H2,18,19,20)
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n/an/a 6.07E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 6.63E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM59326
PNG
(1-(2,4-dimethylphenyl)-2-(4-methyl-6-piperidin-1-y...)
Show SMILES Cc1ccc(NC(N)=Nc2nc(C)cc(n2)N2CCCCC2)c(C)c1 |w:8.8|
Show InChI InChI=1S/C19H26N6/c1-13-7-8-16(14(2)11-13)22-18(20)24-19-21-15(3)12-17(23-19)25-9-5-4-6-10-25/h7-8,11-12H,4-6,9-10H2,1-3H3,(H3,20,21,22,23,24)
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n/an/a 7.01E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
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