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Compile Data Set for Download or QSAR

Found 322 hits of ec50 data for polymerid = 50003764   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/an/an/a 257n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM43817
PNG
((3Z)-1-allyl-3-[(2-hydroxyphenyl)hydrazono]oxindol...)
Show SMILES Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12
Show InChI InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)16(17(20)22)19-18-13-8-4-6-10-15(13)21/h2-10,18,21H,1,11H2
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n/an/an/an/a 378n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM39713
PNG
(1'-allylspiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3...)
Show SMILES C=CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
Show InChI InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)17(16(20)21)19-18-13-8-4-6-10-15(13)22-17/h2-10,18-19H,1,11H2
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n/an/an/an/a 514n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75613
PNG
((2Z)-9-(3-chlorophenyl)-2-(5-ethoxy-6-keto-cyclohe...)
Show SMILES CCOc1cccc(c1O)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C20H16ClN5O4/c1-2-30-13-8-4-7-12(16(13)27)18-23-14(17(22)28)15-19(25-18)26(20(29)24-15)11-6-3-5-10(21)9-11/h3-9,27H,2H2,1H3,(H2,22,28)(H,24,29)
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n/an/an/an/a 3.66E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
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
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/an/an/a 4.56E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75613
PNG
((2Z)-9-(3-chlorophenyl)-2-(5-ethoxy-6-keto-cyclohe...)
Show SMILES CCOc1cccc(c1O)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C20H16ClN5O4/c1-2-30-13-8-4-7-12(16(13)27)18-23-14(17(22)28)15-19(25-18)26(20(29)24-15)11-6-3-5-10(21)9-11/h3-9,27H,2H2,1H3,(H2,22,28)(H,24,29)
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n/an/an/an/a 4.90E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75658
PNG
(1,2-bis(6-fluoranyl-1H-benzimidazol-2-yl)ethane-1,...)
Show SMILES OC(C(O)c1nc2ccc(F)cc2[nH]1)c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C16H12F2N4O2/c17-7-1-3-9-11(5-7)21-15(19-9)13(23)14(24)16-20-10-4-2-8(18)6-12(10)22-16/h1-6,13-14,23-24H,(H,19,21)(H,20,22)
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n/an/an/an/a 4.97E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM49122
PNG
(2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propi...)
Show SMILES NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)
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n/an/an/an/a 5.47E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75669
PNG
(5-(5-methyl-2-furanyl)-N'-[(E)-(6-oxo-1-cyclohexa-...)
Show SMILES Cc1ccc(o1)-c1cc([nH]n1)C(=O)NN=Cc1ccccc1O
Show InChI InChI=1S/C16H14N4O3/c1-10-6-7-15(23-10)12-8-13(19-18-12)16(22)20-17-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+
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n/an/an/an/a 5.71E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75641
PNG
(3-(1,3-benzodioxol-5-yl)-N'-[(E)-(6-ketocyclohexa-...)
Show SMILES Oc1ccccc1C=NNC(=O)c1cc(n[nH]1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H14N4O4/c23-15-4-2-1-3-12(15)9-19-22-18(24)14-8-13(20-21-14)11-5-6-16-17(7-11)26-10-25-16/h1-9,23H,10H2,(H,20,21)(H,22,24)/b19-9+
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n/an/an/an/a 6.03E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM34868
PNG
(1-ethyl-2-methyl-N'-[(E)-(5-oxidanyl-6-oxidanylide...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1cccc(O)c1O
Show InChI InChI=1S/C18H18N4O3/c1-3-22-11(2)20-14-9-12(7-8-15(14)22)18(25)21-19-10-13-5-4-6-16(23)17(13)24/h4-10,23-24H,3H2,1-2H3,(H,21,25)
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n/an/an/an/a 6.34E+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)

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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75700
PNG
(MLS002170417 | N-[3-[[(4-keto-3H-phthalazine-1-car...)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C18H15N5O4/c1-10(24)19-12-6-4-5-11(9-12)16(25)21-23-18(27)15-13-7-2-3-8-14(13)17(26)22-20-15/h2-9H,1H3,(H,19,24)(H,21,25)(H,22,26)(H,23,27)
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n/an/an/an/a 6.37E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM59281
PNG
(2-(2-methylpropanoylcarbamothioylamino)-N-phenyl-b...)
Show SMILES CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-12(2)16(22)21-18(24)20-15-11-7-6-10-14(15)17(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,23)(H2,20,21,22,24)
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n/an/an/an/a 6.41E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM45070
PNG
(4-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxyli...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH][nH]c(=O)c2C)c1O
Show InChI InChI=1S/C13H14N4O4/c1-7-10(15-17-12(7)19)13(20)16-14-6-8-4-3-5-9(21-2)11(8)18/h3-6,18H,1-2H3,(H,16,20)(H2,15,17,19)
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n/an/an/an/a 6.53E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75669
PNG
(5-(5-methyl-2-furanyl)-N'-[(E)-(6-oxo-1-cyclohexa-...)
Show SMILES Cc1ccc(o1)-c1cc([nH]n1)C(=O)NN=Cc1ccccc1O
Show InChI InChI=1S/C16H14N4O3/c1-10-6-7-15(23-10)12-8-13(19-18-12)16(22)20-17-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+
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n/an/an/an/a 6.54E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM69266
PNG
(MLS000419199 | N-[(4-ethylphenyl)methylideneamino]...)
Show SMILES CCc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1
Show InChI InChI=1S/C14H14N6/c1-2-10-3-5-11(6-4-10)7-19-20-14-12-13(16-8-15-12)17-9-18-14/h3-6,8-9H,2,7H2,1H3,(H,15,16,17,18)/b20-19+
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n/an/an/an/a 6.62E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM65353
PNG
(4-bromanyl-N'-[(E)-(4-ethoxy-6-oxidanylidene-cyclo...)
Show SMILES CCOc1ccc(C=NNC(=O)c2[nH]ncc2Br)c(O)c1
Show InChI InChI=1S/C13H13BrN4O3/c1-2-21-9-4-3-8(11(19)5-9)6-15-18-13(20)12-10(14)7-16-17-12/h3-7,19H,2H2,1H3,(H,16,17)(H,18,20)/b15-6+
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n/an/an/an/a 6.69E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM53362
PNG
(MLS001235991 | N'-[1-(3,4-dimethylphenyl)-4-pyrazo...)
Show SMILES Cc1ccc(cc1C)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C18H16N6O2/c1-11-5-6-13(8-12(11)2)24-17-14(9-21-24)16(19-10-20-17)22-23-18(25)15-4-3-7-26-15/h3-10H,1-2H3,(H,23,25)(H,19,20,22)
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n/an/an/an/a 6.81E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75634
PNG
(2-(8-amino-9H-[1,2,4]triazolo[1,5-d][1,2,4]triazep...)
Show SMILES COc1ccccc1C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N8O2/c1-29-11-5-3-2-4-9(11)10-7-15(28,16(17,18)19)27(25-10)14-24-23-12(20)6-13-21-8-22-26(13)14/h2-5,8,28H,6-7H2,1H3,(H2,20,23)
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n/an/an/an/a 7.06E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75691
PNG
(MLS001235981 | N'-[1-(4-fluorophenyl)-4-pyrazolo[3...)
Show SMILES Fc1ccc(cc1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C16H11FN6O2/c17-10-3-5-11(6-4-10)23-15-12(8-20-23)14(18-9-19-15)21-22-16(24)13-2-1-7-25-13/h1-9H,(H,22,24)(H,18,19,21)
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n/an/an/an/a 7.17E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75692
PNG
(MLS001235951 | N'-[1-(3-methylphenyl)-4-pyrazolo[3...)
Show SMILES Cc1cccc(c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C17H14N6O2/c1-11-4-2-5-12(8-11)23-16-13(9-20-23)15(18-10-19-16)21-22-17(24)14-6-3-7-25-14/h2-10H,1H3,(H,22,24)(H,18,19,21)
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n/an/an/an/a 7.19E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75692
PNG
(MLS001235951 | N'-[1-(3-methylphenyl)-4-pyrazolo[3...)
Show SMILES Cc1cccc(c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C17H14N6O2/c1-11-4-2-5-12(8-11)23-16-13(9-20-23)15(18-10-19-16)21-22-17(24)14-6-3-7-25-14/h2-10H,1H3,(H,22,24)(H,18,19,21)
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n/an/an/an/a 7.33E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM58504
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(Z)-...)
Show SMILES Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c(O)ccc2ccccc12
Show InChI InChI=1S/C17H14N8O3/c1-9-14(20-24-25(9)16-15(18)22-28-23-16)17(27)21-19-8-12-11-5-3-2-4-10(11)6-7-13(12)26/h2-8,26H,1H3,(H2,18,22)(H,21,27)
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n/an/an/an/a 7.47E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM51349
PNG
(2-(8-amino-9H-[1,2,4]triazolo[1,5-d][1,2,4]triazep...)
Show SMILES COc1ccc(cc1)C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N8O2/c1-29-10-4-2-9(3-5-10)11-7-15(28,16(17,18)19)27(25-11)14-24-23-12(20)6-13-21-8-22-26(13)14/h2-5,8,28H,6-7H2,1H3,(H2,20,23)
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n/an/an/an/a 7.50E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
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n/an/an/an/a 7.56E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75624
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid (2-hydroxy-5...)
Show SMILES Cc1ccc(O)c(C=NNC(=O)c2[nH]ncc2Br)c1
Show InChI InChI=1S/C12H11BrN4O2/c1-7-2-3-10(18)8(4-7)5-14-17-12(19)11-9(13)6-15-16-11/h2-6,18H,1H3,(H,15,16)(H,17,19)/b14-5+
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n/an/an/an/a 7.61E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM59281
PNG
(2-(2-methylpropanoylcarbamothioylamino)-N-phenyl-b...)
Show SMILES CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-12(2)16(22)21-18(24)20-15-11-7-6-10-14(15)17(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,23)(H2,20,21,22,24)
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n/an/an/an/a 7.62E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
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
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/an/an/a 7.62E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM58625
PNG
(MLS000923798 | N'-[3-[(5Z)-5-(2-chlorobenzylidene)...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
Show InChI InChI=1S/C20H16ClN3O4S2/c21-14-7-3-1-5-12(14)11-16-19(28)24(20(29)30-16)10-9-17(26)22-23-18(27)13-6-2-4-8-15(13)25/h1-8,11,25H,9-10H2,(H,22,26)(H,23,27)/b16-11-
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n/an/an/an/a 7.70E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75637
PNG
(4-keto-N-(7-quinolylmethyleneamino)-1H-quinazoline...)
Show SMILES O=C(NN=Cc1ccc2cccnc2c1)c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C19H13N5O2/c25-18-14-5-1-2-6-15(14)22-17(23-18)19(26)24-21-11-12-7-8-13-4-3-9-20-16(13)10-12/h1-11H,(H,24,26)(H,22,23,25)/b21-11+
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n/an/an/an/a 7.78E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75625
PNG
(MLS000582492 | N-(3-methylbutyl)-4-[(2-methyl-[1,2...)
Show SMILES CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C19H25N7O2/c1-12(2)10-11-20-16(27)8-9-17(28)23-24-19-22-15-7-5-4-6-14(15)18-21-13(3)25-26(18)19/h4-7,12H,8-11H2,1-3H3,(H,20,27)(H,22,24)(H,23,28)
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n/an/an/an/a 7.93E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75640
PNG
(5-(1,1-Dimethyl-propyl)-4,5,6,7-tetrahydro-1H-inda...)
Show SMILES CCC(C)(C)C1CCc2n[nH]c(C(=O)NN=C(C)c3ccco3)c2C1
Show InChI InChI=1S/C19H26N4O2/c1-5-19(3,4)13-8-9-15-14(11-13)17(22-21-15)18(24)23-20-12(2)16-7-6-10-25-16/h6-7,10,13H,5,8-9,11H2,1-4H3,(H,21,22)(H,23,24)/b20-12+
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n/an/an/an/a 8.06E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM53236
PNG
(4-(3-methyl-1-piperidinyl)-N'-(2-methyl-[1,2,4]tri...)
Show SMILES CC1CCCN(C1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C20H25N7O2/c1-13-6-5-11-26(12-13)18(29)10-9-17(28)23-24-20-22-16-8-4-3-7-15(16)19-21-14(2)25-27(19)20/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,22,24)(H,23,28)
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n/an/an/an/a 8.07E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75668
PNG
(1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide | ...)
Show SMILES O=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1
Show InChI InChI=1S/C22H26N4O6/c27-19(23-25-21(29)15-31-17-9-3-1-4-10-17)13-7-8-14-20(28)24-26-22(30)16-32-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
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n/an/an/an/a 8.19E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75656
PNG
((3Z)-5-(hydroxyamino)-6-nitroso-3-phenacylidene-1,...)
Show SMILES ONc1nc(CC(=O)c2ccccc2)c(=O)[nH]c1N=O
Show InChI InChI=1S/C12H10N4O4/c17-9(7-4-2-1-3-5-7)6-8-12(18)14-11(16-20)10(13-8)15-19/h1-5,19H,6H2,(H,13,15)(H,14,18)
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n/an/an/an/a 8.21E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75654
PNG
(4-Fluoro-N-[N'-(2-hydroxy-benzoyl)-hydrazinoca...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O3S/c16-10-7-5-9(6-8-10)13(21)17-15(23)19-18-14(22)11-3-1-2-4-12(11)20/h1-8,20H,(H,18,22)(H2,17,19,21,23)
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n/an/an/an/a 8.25E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50210
PNG
(4-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxyli...)
Show SMILES Cc1c([nH][nH]c1=O)C(=O)NN=Cc1ccc(O)cc1O
Show InChI InChI=1S/C12H12N4O4/c1-6-10(14-16-11(6)19)12(20)15-13-5-7-2-3-8(17)4-9(7)18/h2-5,17-18H,1H3,(H,15,20)(H2,14,16,19)
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n/an/an/an/a 8.30E+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)

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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75636
PNG
(4-keto-N-[(3-nitrobenzylidene)amino]-1H-quinazolin...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2[nH+]c3ccccc3c(=O)[n-]2)c1
Show InChI InChI=1S/C16H11N5O4/c22-15-12-6-1-2-7-13(12)18-14(19-15)16(23)20-17-9-10-4-3-5-11(8-10)21(24)25/h1-9H,(H2,18,19,20,22,23)/b17-9+
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n/an/an/an/a 8.34E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM52820
PNG
(2-(3,5-Dimethyl-pyrazol-1-yl)-4-[N'-(4,6-dimet...)
Show SMILES CCOC(=O)c1cnc(nc1NNc1nc(C)cc(C)n1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H22N8O2/c1-6-28-16(27)14-9-19-18(26-13(5)8-12(4)25-26)22-15(14)23-24-17-20-10(2)7-11(3)21-17/h7-9H,6H2,1-5H3,(H,19,22,23)(H,20,21,24)
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n/an/an/an/a 8.43E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM43817
PNG
((3Z)-1-allyl-3-[(2-hydroxyphenyl)hydrazono]oxindol...)
Show SMILES Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12
Show InChI InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)16(17(20)22)19-18-13-8-4-6-10-15(13)21/h2-10,18,21H,1,11H2
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n/an/an/an/a 8.62E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75661
PNG
(4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...)
Show SMILES Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
Show InChI InChI=1S/C26H31N9O2/c1-19-28-25-21-9-5-6-10-22(21)29-26(35(25)32-19)31-30-24(37)12-11-23(36)27-13-14-33-15-17-34(18-16-33)20-7-3-2-4-8-20/h2-10H,11-18H2,1H3,(H,27,36)(H,29,31)(H,30,37)
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n/an/an/an/a 8.73E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75696
PNG
(1-[3-(dimethylsulfamoyl)phenyl]-3-[(3-hydroxy-2-na...)
Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C20H20N4O4S2/c1-24(2)30(27,28)16-9-5-8-15(12-16)21-20(29)23-22-19(26)17-10-13-6-3-4-7-14(13)11-18(17)25/h3-12,25H,1-2H3,(H,22,26)(H2,21,23,29)
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n/an/an/an/a 8.74E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75656
PNG
((3Z)-5-(hydroxyamino)-6-nitroso-3-phenacylidene-1,...)
Show SMILES ONc1nc(CC(=O)c2ccccc2)c(=O)[nH]c1N=O
Show InChI InChI=1S/C12H10N4O4/c17-9(7-4-2-1-3-5-7)6-8-12(18)14-11(16-20)10(13-8)15-19/h1-5,19H,6H2,(H,13,15)(H,14,18)
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n/an/an/an/a 8.77E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM65289
PNG
((E)-N-[(salicyloylamino)thiocarbamoyl]-3-(2-thieny...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)\C=C\c1cccs1
Show InChI InChI=1S/C15H13N3O3S2/c19-12-6-2-1-5-11(12)14(21)17-18-15(22)16-13(20)8-7-10-4-3-9-23-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)/b8-7+
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n/an/an/an/a 8.80E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75694
PNG
(2-fluoranyl-N-[4-methylsulfanyl-1-[2-[(2-morpholin...)
Show SMILES CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C19H24FN5O5S3/c1-31-11-6-14(24-33(28,29)16-5-3-2-4-13(16)20)17(26)22-23-18(27)15-12-32-19(21-15)25-7-9-30-10-8-25/h2-5,12,14,24H,6-11H2,1H3,(H,22,26)(H,23,27)
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n/an/an/an/a 8.88E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM49122
PNG
(2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propi...)
Show SMILES NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)
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n/an/an/an/a 8.88E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM58504
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(Z)-...)
Show SMILES Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c(O)ccc2ccccc12
Show InChI InChI=1S/C17H14N8O3/c1-9-14(20-24-25(9)16-15(18)22-28-23-16)17(27)21-19-8-12-11-5-3-2-4-10(11)6-7-13(12)26/h2-8,26H,1H3,(H2,18,22)(H,21,27)
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n/an/an/an/a 8.92E+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)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM65353
PNG
(4-bromanyl-N'-[(E)-(4-ethoxy-6-oxidanylidene-cyclo...)
Show SMILES CCOc1ccc(C=NNC(=O)c2[nH]ncc2Br)c(O)c1
Show InChI InChI=1S/C13H13BrN4O3/c1-2-21-9-4-3-8(11(19)5-9)6-15-18-13(20)12-10(14)7-16-17-12/h3-7,19H,2H2,1H3,(H,16,17)(H,18,20)/b15-6+
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n/an/an/an/a 8.97E+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)

More data for this
Ligand-Target Pair
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