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PubChem AID 463135

Compile data set for download or QSAR
Found 101 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75747
PNG
(6-(2-fluorophenyl)-2-[4-(2-hydroxyethyl)-3-methyl-...)
Show SMILES Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2F)c(=O)c1CCO
Show InChI InChI=1S/C16H15FN4O3/c1-9-10(6-7-22)15(24)21(20-9)16-18-13(8-14(23)19-16)11-4-2-3-5-12(11)17/h2-5,8,20,22H,6-7H2,1H3,(H,18,19,23)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50248691
PNG
((1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O
Show InChI InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
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n/an/a 1.19E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM41873
PNG
(2-[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]-1,3-dioxo-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
Show InChI InChI=1S/C15H8N4O5/c20-12-8-4-3-7(14(22)23)6-9(8)13(21)19(12)15-16-11(17-18-15)10-2-1-5-24-10/h1-6H,(H,22,23)(H,16,17,18)
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n/an/a 1.23E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM39617
PNG
(3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-benzop...)
Show SMILES CNc1nnc(s1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C12H9N3O2S/c1-13-12-15-14-10(18-12)8-6-7-4-2-3-5-9(7)17-11(8)16/h2-6H,1H3,(H,13,15)
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n/an/a 1.76E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75772
PNG
(3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-2-benzopyran...)
Show SMILES Oc1cc(O)c2c(c1)cc(oc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-6,16-19H
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n/an/a 2.17E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75749
PNG
(2-[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1...)
Show SMILES Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2)c(=O)c1CCO
Show InChI InChI=1S/C16H16N4O3/c1-10-12(7-8-21)15(23)20(19-10)16-17-13(9-14(22)18-16)11-5-3-2-4-6-11/h2-6,9,19,21H,7-8H2,1H3,(H,17,18,22)
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n/an/a 2.82E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50242280
PNG
((2S,3S,4S,5R,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-di...)
Show SMILES O[C@H]1[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-24,26-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
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n/an/a 3.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM50538
PNG
(8,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one...)
Show SMILES Oc1cc2oc3c(c2cc1O)c(=O)oc1ccccc31
Show InChI InChI=1S/C15H8O5/c16-9-5-8-12(6-10(9)17)19-14-7-3-1-2-4-11(7)20-15(18)13(8)14/h1-6,16-17H
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n/an/a 3.52E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
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/a 4.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM39629
PNG
(4-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]-4-azatri...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1c1n[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C16H13N5O2/c22-14-11-8-3-4-9(6-8)12(11)15(23)21(14)16-18-13(19-20-16)10-2-1-5-17-7-10/h1-5,7-9,11-12H,6H2,(H,18,19,20)
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n/an/a 5.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
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
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 5.25E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM53353
PNG
(4-[(7-chloranyl-2-methoxy-1,5-dihydrobenzo[b][1,5]...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
Show InChI InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)
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n/an/a 5.61E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM69390
PNG
(2-(3,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2...)
Show SMILES CC(C)=CCc1c(O)ccc2C(=O)CC(Oc12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-5-13-15(21)8-6-14-17(23)10-19(25-20(13)14)12-4-7-16(22)18(24)9-12/h3-4,6-9,19,21-22,24H,5,10H2,1-2H3
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n/an/a 6.64E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60983
PNG
((E)-2-(3,4-dihydroxybenzoyl)-3-(4-hydroxy-3-iodo-5...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
Show InChI InChI=1S/C17H12INO5/c1-24-15-6-9(5-12(18)17(15)23)4-11(8-19)16(22)10-2-3-13(20)14(21)7-10/h2-7,20-21,23H,1H3/b11-4+
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n/an/a 7.31E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
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
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 7.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60729
PNG
(3-[2-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-yli...)
Show SMILES Oc1ccc(C=NNC2=c3ccccc3=NC2=O)cc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-6-5-9(7-13(12)20)8-16-18-14-10-3-1-2-4-11(10)17-15(14)21/h1-8,19-20H,(H,17,18,21)
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n/an/a 7.95E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM48868
PNG
(1-ethyl-2-[(E)-2-(1H-indol-3-yl)ethenyl]-6-methyl-...)
Show SMILES CC[n+]1c(\C=C\c2c[nH]c3ccccc23)ccc2cc(C)ccc12
Show InChI InChI=1S/C22H20N2/c1-3-24-19(11-9-17-14-16(2)8-13-22(17)24)12-10-18-15-23-21-7-5-4-6-20(18)21/h4-15H,3H2,1-2H3/p+1
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n/an/a 9.63E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75761
PNG
(2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic aci...)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O3/c21-16(12-8-4-5-9-13(12)17(22)23)18-15-10-14(19-20-15)11-6-2-1-3-7-11/h1-10H,(H,22,23)(H2,18,19,20,21)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75745
PNG
(2-(3-hydroxy-4-methoxy-benzylidene)indane-1,3-quin...)
Show SMILES COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O
Show InChI InChI=1S/C17H12O4/c1-21-15-7-6-10(9-14(15)18)8-13-16(19)11-4-2-3-5-12(11)17(13)20/h2-9,18H,1H3
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n/an/a 1.27E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM49612
PNG
(4-[(1,5-dimethyl-4-nitro-3-pyrazolyl)azo]-N,N-diet...)
Show SMILES CCN(CC)c1ccc(cc1)\N=N\c1nn(C)c(C)c1[N+]([O-])=O
Show InChI InChI=1S/C15H20N6O2/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-15-14(21(22)23)11(3)19(4)18-15/h7-10H,5-6H2,1-4H3/b17-16+
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n/an/a 1.30E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75752
PNG
((5Z)-3-(N-methylanilino)-2-thioxo-5-vanillylidene-...)
Show SMILES COc1cc(\C=C2/SC(=S)N(N(C)c3ccccc3)C2=O)ccc1O
Show InChI InChI=1S/C18H16N2O3S2/c1-19(13-6-4-3-5-7-13)20-17(22)16(25-18(20)24)11-12-8-9-14(21)15(10-12)23-2/h3-11,21H,1-2H3/b16-11-
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n/an/a 1.31E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM66136
PNG
(2-amino-5-(3-hydroxy-6-keto-xanthen-9-yl)benzoic a...)
Show SMILES Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C20H13NO5/c21-16-6-1-10(7-15(16)20(24)25)19-13-4-2-11(22)8-17(13)26-18-9-12(23)3-5-14(18)19/h1-9,22H,21H2,(H,24,25)
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n/an/a 1.45E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM67333
PNG
(8-(dimethylamino)-10-(2,3,4,5-tetrahydroxypentyl)b...)
Show SMILES CN(C)c1ccc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2c1
Show InChI InChI=1S/C17H21N5O6/c1-21(2)8-3-4-9-10(5-8)22(6-11(24)14(26)12(25)7-23)15-13(18-9)16(27)20-17(28)19-15/h3-5,11-12,14,23-26H,6-7H2,1-2H3,(H,20,27,28)
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n/an/a 1.47E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM51017
PNG
((5E)-3-allyl-2-thioxo-5-[(2E)-2-(1,3,3-trimethyl-1...)
Show SMILES CN1\C(=C\C=C2\SC(=S)N(CC=C)C2=O)C(C)(C)c2ccccc12
Show InChI InChI=1S/C19H20N2OS2/c1-5-12-21-17(22)15(24-18(21)23)10-11-16-19(2,3)13-8-6-7-9-14(13)20(16)4/h5-11H,1,12H2,2-4H3/b15-10+,16-11+
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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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75744
PNG
((2E)-3-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Show SMILES CCN1\C(Sc2cc(C)ccc12)=C/c1ccc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S/c1-4-23-18(12-11-17-8-6-7-9-19(17)23)15-22-24(5-2)20-13-10-16(3)14-21(20)25-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/a 1.61E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM39767
PNG
((4Z)-2-benzyl-4-[4-(dimethylamino)benzylidene]-5-m...)
Show SMILES CN(C)c1ccc(C=c2c(=C)[nH]n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C20H21N3O/c1-15-19(13-16-9-11-18(12-10-16)22(2)3)20(24)23(21-15)14-17-7-5-4-6-8-17/h4-13,21H,1,14H2,2-3H3
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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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75739
PNG
((1Z)-1-[(4-hydroxyphenyl)hydrazinylidene]-2-naphth...)
Show SMILES Oc1ccc(cc1)N=Nc1c(O)ccc2ccccc12
Show InChI InChI=1S/C16H12N2O2/c19-13-8-6-12(7-9-13)17-18-16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,19-20H
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n/an/a 1.77E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75759
PNG
((4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-m...)
Show SMILES CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O
Show InChI InChI=1S/C13H12BrNO4/c1-3-18-11-6-8(5-10(14)12(11)16)4-9-7(2)15-19-13(9)17/h4-6,15H,3H2,1-2H3/b8-4+
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n/an/a 1.93E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM39724
PNG
(4-(2-benzylsulfanylethyl)pyridine;phosphoric acid ...)
Show SMILES C(Cc1ccncc1)SCc1ccccc1
Show InChI InChI=1S/C14H15NS/c1-2-4-14(5-3-1)12-16-11-8-13-6-9-15-10-7-13/h1-7,9-10H,8,11-12H2
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n/an/a 2.31E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM53894
PNG
(2-chloranyl-N-[(5Z)-5-[(3-nitro-4-oxidanyl-phenyl)...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H10ClN3O5S2/c18-11-4-2-1-3-10(11)15(23)19-20-16(24)14(28-17(20)27)8-9-5-6-13(22)12(7-9)21(25)26/h1-8,22H,(H,19,23)/b14-8-
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n/an/a 2.54E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75760
PNG
(4-(2-bromophenyl)azo-N,N-dimethylaniline | 4-[(2-b...)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1ccccc1Br
Show InChI InChI=1S/C14H14BrN3/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15/h3-10H,1-2H3/b17-16+
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n/an/a 2.81E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75756
PNG
((E)-1-(2-furanyl)-3-(2-hydroxyphenyl)-2-propen-1-o...)
Show SMILES Oc1ccccc1\C=C\C(=O)c1ccco1
Show InChI InChI=1S/C13H10O3/c14-11-5-2-1-4-10(11)7-8-12(15)13-6-3-9-16-13/h1-9,14H/b8-7+
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n/an/a 4.76E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM51275
PNG
(5-Bromo-6-oxo-6H-pyran-3-carboxylic acid (9-ethyl-...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)c3coc(=O)c(Br)c3)ccc12
Show InChI InChI=1S/C20H15BrN2O3/c1-2-23-17-6-4-3-5-14(17)15-10-13(7-8-18(15)23)22-19(24)12-9-16(21)20(25)26-11-12/h3-11H,2H2,1H3,(H,22,24)
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n/an/a 5.56E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75758
PNG
((1Z)-1-(4-nitrophenyl)ethanone (2-nitrophenyl)hydr...)
Show SMILES CC(N=Nc1ccccc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O4/c1-10(11-6-8-12(9-7-11)17(19)20)15-16-13-4-2-3-5-14(13)18(21)22/h2-10H,1H3
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n/an/a 6.96E+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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM39584
PNG
(5,6-Dimethyl-2-[1-(1-thiophen-2-ylmethyl-1H-tetraz...)
Show SMILES Cc1cc2nc([nH]c2cc1C)C1CCN(Cc2nnnn2Cc2cccs2)CC1
Show InChI InChI=1S/C21H25N7S/c1-14-10-18-19(11-15(14)2)23-21(22-18)16-5-7-27(8-6-16)13-20-24-25-26-28(20)12-17-4-3-9-29-17/h3-4,9-11,16H,5-8,12-13H2,1-2H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM35371
PNG
((7-chloro-5-pyrrolidino-benzofurazan-4-yl)amine | ...)
Show SMILES Nc1c(cc(Cl)c2nonc12)N1CCCC1
Show InChI InChI=1S/C10H11ClN4O/c11-6-5-7(15-3-1-2-4-15)8(12)10-9(6)13-16-14-10/h5H,1-4,12H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75612
PNG
(1-N,1-N-dimethyl-4-N-(3-methylbutyl)piperidine-1,4...)
Show SMILES CC(C)CCNC(=O)C1CCN(CC1)C(=O)N(C)C
Show InChI InChI=1S/C14H27N3O2/c1-11(2)5-8-15-13(18)12-6-9-17(10-7-12)14(19)16(3)4/h11-12H,5-10H2,1-4H3,(H,15,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75725
PNG
(8-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diox...)
Show SMILES C(N1CCC2(CC1)OCCO2)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H19N3O3/c1-2-4-13(5-3-1)15-18-17-14(22-15)12-19-8-6-16(7-9-19)20-10-11-21-16/h1-5H,6-12H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75726
PNG
(3-ethyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-...)
Show SMILES CCn1cnc2sc(C(O)=O)c(C)c2c1=O
Show InChI InChI=1S/C10H10N2O3S/c1-3-12-4-11-8-6(9(12)13)5(2)7(16-8)10(14)15/h4H,3H2,1-2H3,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM42204
PNG
(2-(3,4-dimethoxyphenethyl)-1H-pyrrolo[3,4-c]pyridi...)
Show SMILES COc1ccc(CCN2C(=O)c3ccncc3C2=O)cc1OC
Show InChI InChI=1S/C17H16N2O4/c1-22-14-4-3-11(9-15(14)23-2)6-8-19-16(20)12-5-7-18-10-13(12)17(19)21/h3-5,7,9-10H,6,8H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75619
PNG
(2H-1-benzopyran-3-carboxylic acid [1-(cyclopentyla...)
Show SMILES CCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H23NO4/c1-2-16(18(21)20-15-8-4-5-9-15)24-19(22)14-11-13-7-3-6-10-17(13)23-12-14/h3,6-7,10-11,15-16H,2,4-5,8-9,12H2,1H3,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75750
PNG
(4-[4-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]buta...)
Show SMILES CC(=O)CCc1ccc(Oc2nc(nc3ccccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C23H19N3O2/c1-16(27)8-9-17-10-12-19(13-11-17)28-23-20-6-2-3-7-21(20)25-22(26-23)18-5-4-14-24-15-18/h2-7,10-15H,8-9H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75673
PNG
(MLS000923933 | N-(2,5-dimethoxyphenyl)-2-[[2-(3-me...)
Show SMILES COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(oc2C)-c2cccc(OC)c2)c1
Show InChI InChI=1S/C22H24N2O7S/c1-14-19(24-22(31-14)15-6-5-7-16(10-15)28-2)12-32(26,27)13-21(25)23-18-11-17(29-3)8-9-20(18)30-4/h5-11H,12-13H2,1-4H3,(H,23,25)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75693
PNG
(2-[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thi...)
Show SMILES CCc1nnc(NC(=O)CSc2nnc(C)c(=O)n2N)s1
Show InChI InChI=1S/C10H13N7O2S2/c1-3-7-14-15-9(21-7)12-6(18)4-20-10-16-13-5(2)8(19)17(10)11/h3-4,11H2,1-2H3,(H,12,15,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75720
PNG
(3-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperaz...)
Show SMILES COc1ccc(NC(=O)CCN2CCN(CC2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1
Show InChI InChI=1S/C21H26ClN3O5S/c1-29-18-6-4-17(5-7-18)23-21(26)9-10-24-11-13-25(14-12-24)31(27,28)20-15-16(22)3-8-19(20)30-2/h3-8,15H,9-14H2,1-2H3,(H,23,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75721
PNG
(2-(4-morpholinyl)-4-oxo-6-phenyl-1H-pyrimidine-5-c...)
Show SMILES O=c1[nH]c(nc(-c2ccccc2)c1C#N)N1CCOCC1
Show InChI InChI=1S/C15H14N4O2/c16-10-12-13(11-4-2-1-3-5-11)17-15(18-14(12)20)19-6-8-21-9-7-19/h1-5H,6-9H2,(H,17,18,20)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75723
PNG
(2-(1,3-benzodioxol-5-ylcarbamoylamino)benzene-1,4-...)
Show SMILES COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H16N2O7/c1-24-16(21)10-3-5-12(17(22)25-2)13(7-10)20-18(23)19-11-4-6-14-15(8-11)27-9-26-14/h3-8H,9H2,1-2H3,(H2,19,20,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75732
PNG
(2-(1-benzo[e]benzofuranyl)-N-(phenylmethyl)acetami...)
Show SMILES O=C(Cc1coc2ccc3ccccc3c12)NCc1ccccc1
Show InChI InChI=1S/C21H17NO2/c23-20(22-13-15-6-2-1-3-7-15)12-17-14-24-19-11-10-16-8-4-5-9-18(16)21(17)19/h1-11,14H,12-13H2,(H,22,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75746
PNG
(MLS000765329 | SMR000289434 | cid_2925263)
Show SMILES Cc1cc(NC(=O)c2ccc(cc2)N2C(=O)C3C4CC(C=C4)C3C2=O)no1
Show InChI InChI=1S/C20H17N3O4/c1-10-8-15(22-27-10)21-18(24)11-4-6-14(7-5-11)23-19(25)16-12-2-3-13(9-12)17(16)20(23)26/h2-8,12-13,16-17H,9H2,1H3,(H,21,22,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75748
PNG
(2-[6-chloranyl-2-(4-chlorophenyl)benzimidazol-1-yl...)
Show SMILES OC(=O)COn1c(nc2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10Cl2N2O3/c16-10-3-1-9(2-4-10)15-18-12-6-5-11(17)7-13(12)19(15)22-8-14(20)21/h1-7H,8H2,(H,20,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75753
PNG
(2-[(7-methyl-[1,2,4]triazolo[3,4-c][1,2,4]benzotri...)
Show SMILES Cc1ccc2c(c1)nnc1nnc(SCC(O)=O)n21
Show InChI InChI=1S/C11H9N5O2S/c1-6-2-3-8-7(4-6)12-13-10-14-15-11(16(8)10)19-5-9(17)18/h2-4H,5H2,1H3,(H,17,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75651
PNG
(1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid (4...)
Show SMILES CC(C)N1CC(CC1=O)C(=O)Nc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C16H21N3O3/c1-10(2)19-9-12(8-15(19)21)16(22)18-14-6-4-13(5-7-14)17-11(3)20/h4-7,10,12H,8-9H2,1-3H3,(H,17,20)(H,18,22)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75764
PNG
(4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(3-methoxyphe...)
Show SMILES COc1cccc(CNS(=O)(=O)c2ccc(cc2)-c2cnc(o2)C2CC2)c1
Show InChI InChI=1S/C20H20N2O4S/c1-25-17-4-2-3-14(11-17)12-22-27(23,24)18-9-7-15(8-10-18)19-13-21-20(26-19)16-5-6-16/h2-4,7-11,13,16,22H,5-6,12H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75768
PNG
(1-azocanyl-[5-[(4-chloro-2-methoxyphenoxy)methyl]-...)
Show SMILES COc1cc(Cl)ccc1OCc1cc(no1)C(=O)N1CCCCCCC1
Show InChI InChI=1S/C19H23ClN2O4/c1-24-18-11-14(20)7-8-17(18)25-13-15-12-16(21-26-15)19(23)22-9-5-3-2-4-6-10-22/h7-8,11-12H,2-6,9-10,13H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75731
PNG
(4-(2-methoxyphenyl)-1-phenyl-3-(2-thienyl)-2-pyraz...)
Show SMILES COc1ccccc1C1CN(N=C1c1cccs1)c1ccccc1
Show InChI InChI=1S/C20H18N2OS/c1-23-18-11-6-5-10-16(18)17-14-22(15-8-3-2-4-9-15)21-20(17)19-12-7-13-24-19/h2-13,17H,14H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75736
PNG
(2-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-5,6-...)
Show SMILES CCOC(=O)c1c(NC(=O)Cn2cc(cn2)[N+]([O-])=O)sc2CCCc12
Show InChI InChI=1S/C15H16N4O5S/c1-2-24-15(21)13-10-4-3-5-11(10)25-14(13)17-12(20)8-18-7-9(6-16-18)19(22)23/h6-7H,2-5,8H2,1H3,(H,17,20)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75642
PNG
(1-(benzenesulfonyl)-2-thiophen-2-ylpyrrolidine | 1...)
Show SMILES O=S(=O)(N1CCCC1c1cccs1)c1ccccc1
Show InChI InChI=1S/C14H15NO2S2/c16-19(17,12-6-2-1-3-7-12)15-10-4-8-13(15)14-9-5-11-18-14/h1-3,5-7,9,11,13H,4,8,10H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75652
PNG
(2-(4-Fluoro-benzoylamino)-5,6-dihydro-4H-cyclopent...)
Show SMILES NC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2CCCc12
Show InChI InChI=1S/C15H13FN2O2S/c16-9-6-4-8(5-7-9)14(20)18-15-12(13(17)19)10-2-1-3-11(10)21-15/h4-7H,1-3H2,(H2,17,19)(H,18,20)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75763
PNG
(5-(4-chlorobenzyl)-6,11-diketo-N-(3-morpholinoprop...)
Show SMILES Clc1ccc(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)NCCCN2CCOCC2)cc1
Show InChI InChI=1S/C28H28ClN3O4S/c29-22-9-6-20(7-10-22)19-32-24-18-21(27(33)30-12-3-13-31-14-16-36-17-15-31)8-11-26(24)37(35)25-5-2-1-4-23(25)28(32)34/h1-2,4-11,18H,3,12-17,19H2,(H,30,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75769
PNG
((4E)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodi...)
Show SMILES CCCCOc1cccc(c1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1CCN1CCOCC1
Show InChI InChI=1S/C29H34N2O7/c1-2-3-13-36-22-6-4-5-20(18-22)26-25(27(32)21-7-8-23-24(19-21)38-17-16-37-23)28(33)29(34)31(26)10-9-30-11-14-35-15-12-30/h4-8,18-19,25-26H,2-3,9-17H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75690
PNG
(MLS001236528 | N-(4-acetylphenyl)-1-(2-thienylsulf...)
Show SMILES CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C17H18N2O4S2/c1-12(20)13-6-8-14(9-7-13)18-17(21)15-4-2-10-19(15)25(22,23)16-5-3-11-24-16/h3,5-9,11,15H,2,4,10H2,1H3,(H,18,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM74350
PNG
(MLS001360432 | SMR001223890 | [6-amino-9-(2-carbom...)
Show SMILES COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12
Show InChI InChI=1S/C21H16N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,23H2,1H3/p+1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75727
PNG
(3-(1-adamantyl)-6-methyl-5,6-dihydro-[1,3]thiazolo...)
Show SMILES CC1Cn2c(S1)nnc2C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C15H21N3S/c1-9-8-18-13(16-17-14(18)19-9)15-5-10-2-11(6-15)4-12(3-10)7-15/h9-12H,2-8H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75737
PNG
(1-[(2-chlorophenoxy)acetyl]-4-[4-nitro-3-(1-piperi...)
Show SMILES [O-][N+](=O)c1ccc(cc1N1CCCCC1)N1CCN(CC1)C(=O)COc1ccccc1Cl
Show InChI InChI=1S/C23H27ClN4O4/c24-19-6-2-3-7-22(19)32-17-23(29)27-14-12-25(13-15-27)18-8-9-20(28(30)31)21(16-18)26-10-4-1-5-11-26/h2-3,6-9,16H,1,4-5,10-15,17H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75742
PNG
((4Z)-4-[(2-tert-butylhydrazinyl)methylidene]-2-(5-...)
Show SMILES CC(C)(C)N=NCc1c(O)n(-c2ccc(Cl)cn2)c(=O)c2ccccc12
Show InChI InChI=1S/C19H19ClN4O2/c1-19(2,3)23-22-11-15-13-6-4-5-7-14(13)17(25)24(18(15)26)16-9-8-12(20)10-21-16/h4-10,26H,11H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75743
PNG
(1-(2-{2-[2-(3-ethoxyphenoxy)ethoxy]ethoxy}phenyl)e...)
Show SMILES CCOc1cccc(OCCOCCOc2ccccc2C(C)=O)c1
Show InChI InChI=1S/C20H24O5/c1-3-23-17-7-6-8-18(15-17)24-13-11-22-12-14-25-20-10-5-4-9-19(20)16(2)21/h4-10,15H,3,11-14H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75645
PNG
((1S,1'R,4R)-4,5',5',6,6-pentamethylspiro[bicyclo[2...)
Show SMILES CC1(C)C[C@@H](O)CC2(C1)C[C@]1(C)CC(O)[C@H]2C(C)(C)C1
Show InChI InChI=1S/C18H32O2/c1-15(2)6-12(19)7-18(9-15)11-17(5)8-13(20)14(18)16(3,4)10-17/h12-14,19-20H,6-11H2,1-5H3/t12-,13?,14+,17-,18?/m1/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75653
PNG
(3-(4-Methoxy-benzyl)-1-p-tolyl-pyrrolidine-2,5-dio...)
Show SMILES COc1ccc(Cc2cc(O)n(c2O)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H19NO3/c1-13-3-7-16(8-4-13)20-18(21)12-15(19(20)22)11-14-5-9-17(23-2)10-6-14/h3-10,12,21-22H,11H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75770
PNG
(MLS001162029 | N-cycloheptyl-4-(1,2,4-triazol-4-yl...)
Show SMILES O=C(NC1CCCCCC1)c1ccc(cc1)-n1cnnc1
Show InChI InChI=1S/C16H20N4O/c21-16(19-14-5-3-1-2-4-6-14)13-7-9-15(10-8-13)20-11-17-18-12-20/h7-12,14H,1-6H2,(H,19,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM67418
PNG
(2-(4-Hydroxy-piperidin-1-yl)-6-methoxy-quinoline-3...)
Show SMILES COc1ccc2nc(N3CCC(O)CC3)c(cc2c1)C#N
Show InChI InChI=1S/C16H17N3O2/c1-21-14-2-3-15-11(9-14)8-12(10-17)16(18-15)19-6-4-13(20)5-7-19/h2-3,8-9,13,20H,4-7H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75728
PNG
(4-amino-2-(phenacylthio)-5-pyrimidinecarboxylic ac...)
Show SMILES CCOC(=O)c1cnc(SCC(=O)c2ccccc2)nc1N
Show InChI InChI=1S/C15H15N3O3S/c1-2-21-14(20)11-8-17-15(18-13(11)16)22-9-12(19)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,16,17,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM49406
PNG
(3-(4-methoxyphenyl)-6-methyl-2H-1,4-benzoxazine | ...)
Show SMILES COc1ccc(cc1)C1=Nc2cc(C)ccc2OC1
Show InChI InChI=1S/C16H15NO2/c1-11-3-8-16-14(9-11)17-15(10-19-16)12-4-6-13(18-2)7-5-12/h3-9H,10H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75730
PNG
(2-amino-N-(2-methylbenzyl)benzamide | 2-amino-N-[(...)
Show SMILES Cc1ccccc1CNC(=O)c1ccccc1N
Show InChI InChI=1S/C15H16N2O/c1-11-6-2-3-7-12(11)10-17-15(18)13-8-4-5-9-14(13)16/h2-9H,10,16H2,1H3,(H,17,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75734
PNG
(5-cyano-6-(2-methoxyphenoxy)-2-methyl-3-pyridineca...)
Show SMILES COC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1C
Show InChI InChI=1S/C16H14N2O4/c1-10-12(16(19)21-3)8-11(9-17)15(18-10)22-14-7-5-4-6-13(14)20-2/h4-8H,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM49516
PNG
(MLS000550779 | N-[3-[2-(2-pyridinylamino)-4-thiazo...)
Show SMILES CC(=O)Nc1cccc(c1)-c1csc(Nc2ccccn2)n1
Show InChI InChI=1S/C16H14N4OS/c1-11(21)18-13-6-4-5-12(9-13)14-10-22-16(19-14)20-15-7-2-3-8-17-15/h2-10H,1H3,(H,18,21)(H,17,19,20)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75738
PNG
(1-propyl-2-[(E)-styryl]benzimidazole | 2-(2-phenyl...)
Show SMILES CCCn1c(\C=C\c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C18H18N2/c1-2-14-20-17-11-7-6-10-16(17)19-18(20)13-12-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3/b13-12+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75751
PNG
(MLS000767410 | N'-anilino-N-(1-methyltetrazol-5-yl...)
Show SMILES Cn1nnnc1N=NC(=NNc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H14N8/c1-23-15(20-21-22-23)19-18-14(12-8-4-2-5-9-12)17-16-13-10-6-3-7-11-13/h2-11,16H,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75644
PNG
(1-benzyl-3-(4-chlorophenyl)-1-methyl-urea | 1-benz...)
Show SMILES CN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H15ClN2O/c1-18(11-12-5-3-2-4-6-12)15(19)17-14-9-7-13(16)8-10-14/h2-10H,11H2,1H3,(H,17,19)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75646
PNG
(2-[4-[(1-ethyl-3-indolyl)methyl]-1-methyl-2-pipera...)
Show SMILES CCn1cc(CN2CCN(C)C(CCO)C2)c2ccccc12
Show InChI InChI=1S/C18H27N3O/c1-3-21-13-15(17-6-4-5-7-18(17)21)12-20-10-9-19(2)16(14-20)8-11-22/h4-7,13,16,22H,3,8-12,14H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75667
PNG
(2-(7-fluoranyl-4-oxidanylidene-pyrrolo[1,2-a]quino...)
Show SMILES CN1CCN(CCNC(=O)Cn2c3cc(F)ccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C20H24FN5O2/c1-23-9-11-24(12-10-23)8-6-22-19(27)14-26-18-13-15(21)4-5-16(18)25-7-2-3-17(25)20(26)28/h2-5,7,13H,6,8-12,14H2,1H3,(H,22,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75718
PNG
(2-[3-hydroxy-2-keto-3-[2-keto-2-(p-tolyl)ethyl]ind...)
Show SMILES COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C20H19NO5/c1-13-7-9-14(10-8-13)17(22)11-20(25)15-5-3-4-6-16(15)21(19(20)24)12-18(23)26-2/h3-10,25H,11-12H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM42676
PNG
((2Z)-3-(2-furanyl)-3-oxo-2-(1H-pyridin-2-ylidene)p...)
Show SMILES O=C(C(C#N)c1ccccn1)c1ccco1
Show InChI InChI=1S/C12H8N2O2/c13-8-9(10-4-1-2-6-14-10)12(15)11-5-3-7-16-11/h1-7,9H
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM73378
PNG
(4-(1-benzotriazolyl)-5-phenoxybenzene-1,2-dicarbon...)
Show SMILES N#Cc1cc(Oc2ccccc2)c(cc1C#N)-n1nnc2ccccc12
Show InChI InChI=1S/C20H11N5O/c21-12-14-10-19(25-18-9-5-4-8-17(18)23-24-25)20(11-15(14)13-22)26-16-6-2-1-3-7-16/h1-11H
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75733
PNG
(3-(4-Bromo-phenyl)-5-thiophen-2-yl-3H-thieno[2,3-d...)
Show SMILES Brc1ccc(cc1)-n1cnc2scc(-c3cccs3)c2c1=O
Show InChI InChI=1S/C16H9BrN2OS2/c17-10-3-5-11(6-4-10)19-9-18-15-14(16(19)20)12(8-22-15)13-2-1-7-21-13/h1-9H
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75735
PNG
(3-[(3-methylphenyl)sulfanylmethyl]-5-(oxolan-2-ylm...)
Show SMILES Cc1cccc(SCc2noc(C(=O)NCC3CCCO3)c2C(O)=O)c1
Show InChI InChI=1S/C18H20N2O5S/c1-11-4-2-6-13(8-11)26-10-14-15(18(22)23)16(25-20-14)17(21)19-9-12-5-3-7-24-12/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,19,21)(H,22,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75741
PNG
(3-(1-benzotriazolyl)-N-[[(E)-2-methyl-3-phenylprop...)
Show SMILES C\C(C=NNC(=O)CCn1nnc2ccccc12)=C/c1ccccc1
Show InChI InChI=1S/C19H19N5O/c1-15(13-16-7-3-2-4-8-16)14-20-22-19(25)11-12-24-18-10-6-5-9-17(18)21-23-24/h2-10,13-14H,11-12H2,1H3,(H,22,25)/b15-13+,20-14?
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75755
PNG
(4-(cyclopentanecarbonylamino)benzamide | 4-(cyclop...)
Show SMILES NC(=O)c1ccc(NC(=O)C2CCCC2)cc1
Show InChI InChI=1S/C13H16N2O2/c14-12(16)9-5-7-11(8-6-9)15-13(17)10-3-1-2-4-10/h5-8,10H,1-4H2,(H2,14,16)(H,15,17)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75757
PNG
(2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-p-phenetyl...)
Show SMILES CCOc1ccc(NC(=O)CSc2nncn2C)cc1
Show InChI InChI=1S/C13H16N4O2S/c1-3-19-11-6-4-10(5-7-11)15-12(18)8-20-13-16-14-9-17(13)2/h4-7,9H,3,8H2,1-2H3,(H,15,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75762
PNG
(3,4,5-trimethoxy-N-[2-[2-[[5-(4-nitrophenyl)-2-fur...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H22N4O8/c1-32-19-10-15(11-20(33-2)22(19)34-3)23(29)24-13-21(28)26-25-12-17-8-9-18(35-17)14-4-6-16(7-5-14)27(30)31/h4-12H,13H2,1-3H3,(H,24,29)(H,26,28)/b25-12+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75767
PNG
((E)-3-[4-(difluoromethoxy)-3-methoxy-phenyl]acryli...)
Show SMILES COc1cc(\C=C\C(=O)OCC(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F
Show InChI InChI=1S/C20H24F2N2O6/c1-28-16-11-13(7-9-15(16)30-19(21)22)8-10-18(26)29-12-17(25)24-20(27)23-14-5-3-2-4-6-14/h7-11,14,19H,2-6,12H2,1H3,(H2,23,24,25,27)/b10-8+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75724
PNG
(1-(1-adamantylcarbonyl)-3,5-dimethyl-1H-pyrazole |...)
Show SMILES Cc1cc(C)n(n1)C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C16H22N2O/c1-10-3-11(2)18(17-10)15(19)16-7-12-4-13(8-16)6-14(5-12)9-16/h3,12-14H,4-9H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75729
PNG
(MLS000525476 | N-(phenylmethyl)-2-[4-thiophen-2-yl...)
Show SMILES FC(F)(F)c1cc(nc(SCC(=O)NCc2ccccc2)n1)-c1cccs1
Show InChI InChI=1S/C18H14F3N3OS2/c19-18(20,21)15-9-13(14-7-4-8-26-14)23-17(24-15)27-11-16(25)22-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,22,25)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75740
PNG
(MLS000573096 | N-(4-methyl-3-nitro-phenyl)isonicot...)
Show SMILES Cc1ccc(NC(=O)c2ccncc2)cc1[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O3/c1-9-2-3-11(8-12(9)16(18)19)15-13(17)10-4-6-14-7-5-10/h2-8H,1H3,(H,15,17)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75754
PNG
((4-methylphenyl)[(5-nitro-2-thienyl)methyl]amine |...)
Show SMILES Cc1ccc(NCc2ccc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N2O2S/c1-9-2-4-10(5-3-9)13-8-11-6-7-12(17-11)14(15)16/h2-7,13H,8H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM53096
PNG
(2-[3-[(E)-(2,4,6-triketo-1-phenyl-hexahydropyrimid...)
Show SMILES COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C22H17N3O5/c1-30-19(26)13-24-12-14(16-9-5-6-10-18(16)24)11-17-20(27)23-22(29)25(21(17)28)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,23,27,29)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75666
PNG
(1-cyclobutyl-N-[3-(3-fluorophenyl)phenyl]-4-piperi...)
Show SMILES Fc1cccc(c1)-c1cccc(NC(=O)C2CCN(CC2)C2CCC2)c1
Show InChI InChI=1S/C22H25FN2O/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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Burnham Center for Chemical Genomics

Curated 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/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75771
PNG
(MLS001236645 | N-[2-(2,4-dimethylanilino)-2-keto-e...)
Show SMILES CN1CCN(CC1)C(=O)N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H30N4O4S/c1-17-5-8-20(9-6-17)32(30,31)27(23(29)26-13-11-25(4)12-14-26)16-22(28)24-21-10-7-18(2)15-19(21)3/h5-10,15H,11-14,16H2,1-4H3,(H,24,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75719
PNG
(3-[1-ethoxy-3-(4-fluorophenyl)-2,7-dimethyl-1-sulf...)
Show SMILES CCOP1(=S)N(C)C(=Nc2c1c(C)nn2CCC#N)c1ccc(F)cc1
Show InChI InChI=1S/C17H19FN5OPS/c1-4-24-25(26)15-12(2)21-23(11-5-10-19)17(15)20-16(22(25)3)13-6-8-14(18)9-7-13/h6-9H,4-5,11H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75722
PNG
(MLS000064460 | N-(4-fluorophenyl)-2-(4-piperidin-1...)
Show SMILES Fc1ccc(NC(=O)CN2CCN(CC2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C18H25FN4O2/c19-15-4-6-16(7-5-15)20-17(24)14-21-10-12-23(13-11-21)18(25)22-8-2-1-3-9-22/h4-7H,1-3,8-14H2,(H,20,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75765
PNG
(1-[6-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-...)
Show SMILES CC1CCCN(C1)S(=O)(=O)c1ccc2OCCN(C(C)=O)c2c1
Show InChI InChI=1S/C16H22N2O4S/c1-12-4-3-7-17(11-12)23(20,21)14-5-6-16-15(10-14)18(13(2)19)8-9-22-16/h5-6,10,12H,3-4,7-9,11H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75766
PNG
(1-Cyclohexyl-2-imino-8-methyl-10-oxo-1,10-dihydro-...)
Show SMILES Cc1cccn2c1nc1n(C3CCCCC3)c(=N)c(cc1c2=O)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H29N5O2/c1-15-8-7-13-28-21(15)27-22-19(24(28)31)14-18(23(30)26-16-9-5-6-10-16)20(25)29(22)17-11-3-2-4-12-17/h7-8,13-14,16-17,25H,2-6,9-12H2,1H3,(H,26,30)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%