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PubChem AID 463120

Compile data set for download or QSAR
Found 140 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)
BDBM75614
PNG
(2-(4-Methyl-quinazolin-2-ylamino)-1,5,6,7-tetrahyd...)
Show SMILES Cc1nc(Nc2nc3CCCc3c(=O)[nH]2)nc2ccccc12
Show InChI InChI=1S/C16H15N5O/c1-9-10-5-2-3-7-12(10)18-15(17-9)21-16-19-13-8-4-6-11(13)14(22)20-16/h2-3,5,7H,4,6,8H2,1H3,(H2,17,18,19,20,21,22)
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n/an/an/an/a 1.31E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75616
PNG
(MLS000528920 | N-(2-phenylethyl)-2-(1H-1,2,4-triaz...)
Show SMILES O=C(CSc1nnc[nH]1)NCCc1ccccc1
Show InChI InChI=1S/C12H14N4OS/c17-11(8-18-12-14-9-15-16-12)13-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,17)(H,14,15,16)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM57356
PNG
(2-[1-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)prop...)
Show SMILES Cc1cccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C24H22N4/c1-16-7-6-8-17(13-16)14-18(24-27-21-11-4-5-12-22(21)28-24)15-23-25-19-9-2-3-10-20(19)26-23/h2-13,18H,14-15H2,1H3,(H,25,26)(H,27,28)
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n/an/an/an/a 2.98E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75648
PNG
(1-N'-[(Z)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylid...)
Show SMILES CCOc1cc(C=NNC(=O)C(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O
Show InChI InChI=1S/C20H22N4O6/c1-3-29-17-9-13(5-7-15(17)25)11-21-23-19(27)20(28)24-22-12-14-6-8-16(26)18(10-14)30-4-2/h5-12,25-26H,3-4H2,1-2H3,(H,23,27)(H,24,28)
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n/an/an/an/a 2.91E+4n/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/Q2ST7N9K
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

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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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75655
PNG
(1-[[1-(2-methylbenzyl)-4-piperidyl]methyl]-3-(3,4,...)
Show SMILES COc1cc(NC(=O)NCC2CCN(Cc3ccccc3C)CC2)cc(OC)c1OC
Show InChI InChI=1S/C24H33N3O4/c1-17-7-5-6-8-19(17)16-27-11-9-18(10-12-27)15-25-24(28)26-20-13-21(29-2)23(31-4)22(14-20)30-3/h5-8,13-14,18H,9-12,15-16H2,1-4H3,(H2,25,26,28)
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n/an/an/an/a 7.00E+4n/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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75660
PNG
((2E)-3-(5-bromanylthiophen-2-yl)-2-(3-methyl-1H-be...)
Show SMILES Cn1c(nc2ccccc12)C(C#N)C(=O)c1ccc(Br)s1
Show InChI InChI=1S/C15H10BrN3OS/c1-19-11-5-3-2-4-10(11)18-15(19)9(8-17)14(20)12-6-7-13(16)21-12/h2-7,9H,1H3
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n/an/an/an/a 7.70E+4n/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/Q2ST7N9K
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

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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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM51928
PNG
(MLS001090557 | N-[3-(3-chlorophenyl)phenyl]-1-[(1-...)
Show SMILES CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cn1
Show InChI InChI=1S/C25H29ClN4O/c1-18(2)30-17-19(15-27-30)16-29-11-9-20(10-12-29)25(31)28-24-8-4-6-22(14-24)21-5-3-7-23(26)13-21/h3-8,13-15,17-18,20H,9-12,16H2,1-2H3,(H,28,31)
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n/an/an/an/a 8.28E+4n/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/Q2ST7N9K
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

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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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75676
PNG
(1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-N-[3-...)
Show SMILES CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C26H31FN4O/c1-4-31-19(3)25(18(2)29-31)17-30-13-11-20(12-14-30)26(32)28-24-10-6-8-22(16-24)21-7-5-9-23(27)15-21/h5-10,15-16,20H,4,11-14,17H2,1-3H3,(H,28,32)
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n/an/an/an/a 5.98E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75697
PNG
(MLS002163808 | N-[3-[2-[2-(4-bromanylphenoxy)ethan...)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)NNC(=O)COc1ccc(Br)cc1
Show InChI InChI=1S/C19H22BrN3O5S/c1-13-3-8-17(11-14(13)2)29(26,27)21-10-9-18(24)22-23-19(25)12-28-16-6-4-15(20)5-7-16/h3-8,11,21H,9-10,12H2,1-2H3,(H,22,24)(H,23,25)
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n/an/an/an/a 1.15E+4n/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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75702
PNG
(4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-...)
Show SMILES C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1
Show InChI InChI=1S/C16H15N5O3/c1-10(11-5-3-2-4-6-11)19-15(22)13-14(18-9-17-13)16(23)20-12-7-8-24-21-12/h2-10H,1H3,(H,17,18)(H,19,22)(H,20,21,23)/t10-/m1/s1
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n/an/an/an/a 1.20E+4n/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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM38060
PNG
(MLS000057078 | N-(1,3-diketoisoindolin-4-yl)-4-met...)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1cccc2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H19N3O7S/c1-29-15-6-5-12(11-16(15)31(27,28)23-7-9-30-10-8-23)18(24)21-14-4-2-3-13-17(14)20(26)22-19(13)25/h2-6,11H,7-10H2,1H3,(H,21,24)(H,22,25,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM74653
PNG
(MLS000051892 | N-[3-(2-furanylmethylamino)-2-quino...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccco1
Show InChI InChI=1S/C20H18N4O3S/c1-14-8-10-16(11-9-14)28(25,26)24-20-19(21-13-15-5-4-12-27-15)22-17-6-2-3-7-18(17)23-20/h2-12H,13H2,1H3,(H,21,22)(H,23,24)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75620
PNG
(MLS000555680 | N-(4,5-Dimethyl-thiazol-2-yl)-2-(7-...)
Show SMILES Cc1nc(NC(=O)CSc2nc3cc4OCOc4cc3cc2C)sc1C
Show InChI InChI=1S/C18H17N3O3S2/c1-9-4-12-5-14-15(24-8-23-14)6-13(12)20-17(9)25-7-16(22)21-18-19-10(2)11(3)26-18/h4-6H,7-8H2,1-3H3,(H,19,21,22)
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n/an/an/an/a 2.50E+4n/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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM52555
PNG
(2-nitro-N-[(salicyloylamino)thiocarbamoyl]benzamid...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O5S/c20-12-8-4-2-6-10(12)14(22)17-18-15(25)16-13(21)9-5-1-3-7-11(9)19(23)24/h1-8,20H,(H,17,22)(H2,16,18,21,25)
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n/an/an/an/a 9.16E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM63469
PNG
(1-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylami...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccccc1
Show InChI InChI=1S/C18H19N5OS/c1-3-23-12(2)19-15-11-13(9-10-16(15)23)17(24)21-22-18(25)20-14-7-5-4-6-8-14/h4-11H,3H2,1-2H3,(H,21,24)(H2,20,22,25)
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n/an/an/an/a 1.06E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75638
PNG
(2-keto-2-[N'-[(E)-(6-ketocyclohexa-2,4-dien-1-ylid...)
Show SMILES Oc1ccccc1C=NNC(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C16H22N4O4/c21-14-5-2-1-4-13(14)12-18-19-16(23)15(22)17-6-3-7-20-8-10-24-11-9-20/h1-2,4-5,12,21H,3,6-11H2,(H,17,22)(H,19,23)
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n/an/an/an/a 1.92E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75649
PNG
((E)-1-(4-fluorophenyl)-3-(2-hydroxy-5-methyl-anili...)
Show SMILES Cc1ccc(O)c(c1)N=CCC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO2/c1-11-2-7-16(20)14(10-11)18-9-8-15(19)12-3-5-13(17)6-4-12/h2-7,9-10,20H,8H2,1H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75657
PNG
(1-[[1-(2-chlorobenzyl)-4-piperidyl]methyl]-3-(3,4,...)
Show SMILES COc1cc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC
Show InChI InChI=1S/C23H30ClN3O4/c1-29-20-12-18(13-21(30-2)22(20)31-3)26-23(28)25-14-16-8-10-27(11-9-16)15-17-6-4-5-7-19(17)24/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H2,25,26,28)
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n/an/an/an/a 6.13E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75671
PNG
(MLS001121909 | N-[2-[1-(4-methoxy-3-methyl-benzyl)...)
Show SMILES COc1ccc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)cc1C
Show InChI InChI=1S/C27H34N4O2/c1-21-19-23(11-12-25(21)33-2)20-30-17-14-24(15-18-30)31-26(13-16-28-31)29-27(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-13,16,19,24H,6,9-10,14-15,17-18,20H2,1-2H3,(H,29,32)
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n/an/an/an/a 7.74E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75672
PNG
(MLS001072560 | N-(6,6-dimethyl-1-phenyl-5,7-dihydr...)
Show SMILES Cc1cc([nH]n1)C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-13-9-16(24-23-13)19(26)22-17-10-20(2,3)11-18-15(17)12-21-25(18)14-7-5-4-6-8-14/h4-9,12,17H,10-11H2,1-3H3,(H,22,26)(H,23,24)
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n/an/an/an/a 7.07E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75680
PNG
(2-[2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-N-(...)
Show SMILES Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc2OCOc2c1
Show InChI InChI=1S/C17H14ClN3O4/c1-10-2-4-12(18)7-13(10)20-16(22)17(23)21-19-8-11-3-5-14-15(6-11)25-9-24-14/h2-8H,9H2,1H3,(H,20,22)(H,21,23)
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n/an/an/an/a 2.96E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75683
PNG
(1-(4-tert-butylcyclohexyl)-3-(1-phenylethyl)thiour...)
Show SMILES CC(NC(=S)NC1CCC(CC1)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C19H30N2S/c1-14(15-8-6-5-7-9-15)20-18(22)21-17-12-10-16(11-13-17)19(2,3)4/h5-9,14,16-17H,10-13H2,1-4H3,(H2,20,21,22)
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n/an/an/an/a 3.98E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM38924
PNG
(2,6-bis(2-pyridinyl)pyridine | 2,6-bis(2-pyridyl)p...)
Show SMILES c1ccc(nc1)-c1cccc(n1)-c1ccccn1
Show InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
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n/an/an/an/a 1.68E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM66779
PNG
((5E)-N-(2,5-dimethoxyphenyl)-5-(3-methyl-6-oxidany...)
Show SMILES COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1
Show InChI InChI=1S/C19H19N3O4/c1-11-4-6-17(23)13(8-11)14-10-16(22-21-14)19(24)20-15-9-12(25-2)5-7-18(15)26-3/h4-10,23H,1-3H3,(H,20,24)(H,21,22)
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n/an/an/an/a 1.51E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75677
PNG
(1-[(2-bromobenzoyl)amino]-3-(2-furfuryl)thiourea |...)
Show SMILES Brc1ccccc1C(=O)NNC(=S)NCc1ccco1
Show InChI InChI=1S/C13H12BrN3O2S/c14-11-6-2-1-5-10(11)12(18)16-17-13(20)15-8-9-4-3-7-19-9/h1-7H,8H2,(H,16,18)(H2,15,17,20)
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n/an/an/an/a 9.62E+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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75704
PNG
(5-N-benzyl-4-N-(1,2-oxazol-3-yl)-1H-imidazole-4,5-...)
Show SMILES O=C(NCc1ccccc1)c1[nH]cnc1C(=O)Nc1ccon1
Show InChI InChI=1S/C15H13N5O3/c21-14(16-8-10-4-2-1-3-5-10)12-13(18-9-17-12)15(22)19-11-6-7-23-20-11/h1-7,9H,8H2,(H,16,21)(H,17,18)(H,19,20,22)
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n/an/an/an/a 1.42E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75611
PNG
(2-(2-ethyl-1-piperidinyl)-3-oxo-4H-1,4-benzothiazi...)
Show SMILES CCC1CCCCN1C1Sc2ccc(cc2NC1=O)C(=O)OC
Show InChI InChI=1S/C17H22N2O3S/c1-3-12-6-4-5-9-19(12)16-15(20)18-13-10-11(17(21)22-2)7-8-14(13)23-16/h7-8,10,12,16H,3-6,9H2,1-2H3,(H,18,20)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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 1.13E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75618
PNG
(2-[4-(3-chloroanilino)-2-sulfanylidene-1,3-diazasp...)
Show SMILES Clc1cccc(NC2=NC(=S)N(CC#N)C22CCCCC2)c1
Show InChI InChI=1S/C16H17ClN4S/c17-12-5-4-6-13(11-12)19-14-16(7-2-1-3-8-16)21(10-9-18)15(22)20-14/h4-6,11H,1-3,7-8,10H2,(H,19,20,22)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM52332
PNG
((E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(Cl)cc2)C(O)=O)[nH]1
Show InChI InChI=1S/C16H12ClN3O3S/c1-9-18-16(20-19-9)24-14(15(21)22)8-12-6-7-13(23-12)10-2-4-11(17)5-3-10/h2-8H,1H3,(H,21,22)(H,18,19,20)
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n/an/an/an/a 1.28E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75622
PNG
(1-cyclohexyl-3-[2-(3,4-diethoxyphenyl)ethanoylamin...)
Show SMILES CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
Show InChI InChI=1S/C19H29N3O3S/c1-3-24-16-11-10-14(12-17(16)25-4-2)13-18(23)21-22-19(26)20-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,21,23)(H2,20,22,26)
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n/an/an/an/a 1.87E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM57483
PNG
(MLS000581688 | N-[4-[(3-methylbutanoylcarbamothioy...)
Show SMILES CC(C)CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C20H28N4O3S/c1-13(2)12-17(25)22-20(28)24-23-19(27)15-8-10-16(11-9-15)21-18(26)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,26)(H,23,27)(H2,22,24,25,28)
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n/an/an/an/a 1.87E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75623
PNG
(MLS000569184 | N-tert-Butyl-2-oxo-2-[N'-(2-phe...)
Show SMILES CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccccc1
Show InChI InChI=1S/C14H19N3O4/c1-14(2,3)15-12(19)13(20)17-16-11(18)9-21-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,19)(H,16,18)(H,17,20)
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n/an/an/an/a 2.80E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM59309
PNG
(1-[(2-ethyl-4-hydroxy-1-oxo-5-propoxypentyl)amino]...)
Show SMILES CCCOCC(O)CC(CC)C(=O)NNC(=S)Nc1ccccc1
Show InChI InChI=1S/C17H27N3O3S/c1-3-10-23-12-15(21)11-13(4-2)16(22)19-20-17(24)18-14-8-6-5-7-9-14/h5-9,13,15,21H,3-4,10-12H2,1-2H3,(H,19,22)(H2,18,20,24)
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n/an/an/an/a 1.41E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75630
PNG
((4E)-2-(1H-benzimidazol-2-yl)-4-(dimethylaminometh...)
Show SMILES CN(C)C=c1c(=C)[nH]n(-c2nc3ccccc3[nH]2)c1=O
Show InChI InChI=1S/C14H15N5O/c1-9-10(8-18(2)3)13(20)19(17-9)14-15-11-6-4-5-7-12(11)16-14/h4-8,17H,1H2,2-3H3,(H,15,16)/b10-8+
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n/an/an/an/a 1.23E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
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 1.01E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75639
PNG
(1-(phenylmethyl)-3-[3-(4-propan-2-yloxyphenyl)prop...)
Show SMILES CC(C)Oc1ccc(CCC(=O)NNC(=S)NCc2ccccc2)cc1
Show InChI InChI=1S/C20H25N3O2S/c1-15(2)25-18-11-8-16(9-12-18)10-13-19(24)22-23-20(26)21-14-17-6-4-3-5-7-17/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,22,24)(H2,21,23,26)
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n/an/an/an/a 1.88E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM67628
PNG
((2-anilinopyrimidin-4-yl)-phenyl-amine | 2-N,4-N-d...)
Show SMILES N(c1ccccc1)c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C16H14N4/c1-3-7-13(8-4-1)18-15-11-12-17-16(20-15)19-14-9-5-2-6-10-14/h1-12H,(H2,17,18,19,20)
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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/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75650
PNG
(MLS001209276 | N-[(3,4,5-trimethoxybenzylidene)ami...)
Show SMILES COc1cc(C=NNS(=O)(=O)c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C16H18N2O5S/c1-21-14-9-12(10-15(22-2)16(14)23-3)11-17-18-24(19,20)13-7-5-4-6-8-13/h4-11,18H,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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75663
PNG
(MLS001072359 | N-[2-[1-(2-methylbenzyl)-4-piperidy...)
Show SMILES Cc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
Show InChI InChI=1S/C26H32N4O/c1-21-8-5-6-12-23(21)20-29-18-15-24(16-19-29)30-25(14-17-27-30)28-26(31)13-7-11-22-9-3-2-4-10-22/h2-6,8-10,12,14,17,24H,7,11,13,15-16,18-20H2,1H3,(H,28,31)
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n/an/an/an/a 7.07E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75674
PNG
(4-methyl-N-[3-(methylthio)-1-[[(2-morpholinothiazo...)
Show SMILES CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C20H27N5O5S3/c1-14-3-5-15(6-4-14)33(28,29)24-16(7-12-31-2)18(26)22-23-19(27)17-13-32-20(21-17)25-8-10-30-11-9-25/h3-6,13,16,24H,7-12H2,1-2H3,(H,22,26)(H,23,27)
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n/an/an/an/a 9.84E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75685
PNG
(2-(1-bromanylnaphthalen-2-yl)oxy-1-piperidin-1-yl-...)
Show SMILES Brc1c(OCC(=O)N2CCCCC2)ccc2ccccc12
Show InChI InChI=1S/C17H18BrNO2/c18-17-14-7-3-2-6-13(14)8-9-15(17)21-12-16(20)19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-12H2
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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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75687
PNG
(MLS001146500 | N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-...)
Show SMILES CC(=NNC(=O)c1ccc(Cn2cccn2)o1)c1cccc(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C23H20N6O3/c1-16(18-4-2-5-19(14-18)26-22(30)17-8-11-24-12-9-17)27-28-23(31)21-7-6-20(32-21)15-29-13-3-10-25-29/h2-14H,15H2,1H3,(H,26,30)(H,28,31)
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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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75695
PNG
(MLS002180760 | N'-[2-(3-methylphenoxy)-1-oxoethyl]...)
Show SMILES Cc1cccc(OCC(=O)NNC(=O)c2ccc3nc[nH]c3c2)c1
Show InChI InChI=1S/C17H16N4O3/c1-11-3-2-4-13(7-11)24-9-16(22)20-21-17(23)12-5-6-14-15(8-12)19-10-18-14/h2-8,10H,9H2,1H3,(H,18,19)(H,20,22)(H,21,23)
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n/an/an/an/a 9.75E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75703
PNG
(4-[[4-(isoxazol-3-ylcarbamoyl)-1H-imidazole-5-carb...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1nc[nH]c1C(=O)Nc1ccon1
Show InChI InChI=1S/C18H24N6O5/c1-18(2,3)29-17(27)24-7-4-11(5-8-24)21-15(25)13-14(20-10-19-13)16(26)22-12-6-9-28-23-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,19,20)(H,21,25)(H,22,23,26)
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n/an/an/an/a 1.01E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75608
PNG
(3-[(2-chlorophenyl)methyl]-N-(3-methylbutyl)-7-tri...)
Show SMILES CC(C)CCNc1ncnc2n(Cc3ccccc3Cl)nnc12
Show InChI InChI=1S/C16H19ClN6/c1-11(2)7-8-18-15-14-16(20-10-19-15)23(22-21-14)9-12-5-3-4-6-13(12)17/h3-6,10-11H,7-9H2,1-2H3,(H,18,19,20)
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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/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75609
PNG
(3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-3-...)
Show SMILES OC1CN=C2Sc3ccccc3N2C1
Show InChI InChI=1S/C10H10N2OS/c13-7-5-11-10-12(6-7)8-3-1-2-4-9(8)14-10/h1-4,7,13H,5-6H2
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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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75610
PNG
(2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one...)
Show SMILES O=c1cc([nH]n1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O/c21-15-10-14(11-6-2-1-3-7-11)19-20(15)16-17-12-8-4-5-9-13(12)18-16/h1-10,19H,(H,17,18)
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n/an/an/an/a 1.15E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay 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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75615
PNG
(1-(2-furanyl)-2-(3-heptyl-2-imino-1-benzimidazolyl...)
Show SMILES CCCCCCCn1c2ccccc2n(CC(=O)c2ccco2)c1=N
Show InChI InChI=1S/C20H25N3O2/c1-2-3-4-5-8-13-22-16-10-6-7-11-17(16)23(20(22)21)15-18(24)19-12-9-14-25-19/h6-7,9-12,14,21H,2-5,8,13,15H2,1H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM64586
PNG
(3-Hydroxy-2-{N'-[1-(2-hydroxy-naphthalen-1-yl)...)
Show SMILES Oc1ccc2ccccc2c1CN=Nc1nc2ccccc2c(=O)n1O
Show InChI InChI=1S/C19H14N4O3/c24-17-10-9-12-5-1-2-6-13(12)15(17)11-20-22-19-21-16-8-4-3-7-14(16)18(25)23(19)26/h1-10,24,26H,11H2
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n/an/an/an/a 1.36E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM39769
PNG
(2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)...)
Show SMILES Cc1cc(C)cc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C25H24N4/c1-16-11-17(2)13-18(12-16)14-19(25-28-22-9-5-6-10-23(22)29-25)15-24-26-20-7-3-4-8-21(20)27-24/h3-13,19H,14-15H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 6.57E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75626
PNG
(MLS000582497 | N-(3-ethoxypropyl)-4-keto-4-[N'-(2-...)
Show SMILES CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-34-16-8-15-25-20(32)13-14-21(33)28-29-24-26-19-12-7-6-11-18(19)23-27-22(30-31(23)24)17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,25,32)(H,26,29)(H,28,33)
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n/an/an/an/a 1.26E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75628
PNG
(1-(4-methoxyphenyl)-3-[(5-methyl-1-phenyl-1,2,3-tr...)
Show SMILES COc1ccc(NC(=S)NNC(=O)c2nnn(c2C)-c2ccccc2)cc1
Show InChI InChI=1S/C18H18N6O2S/c1-12-16(20-23-24(12)14-6-4-3-5-7-14)17(25)21-22-18(27)19-13-8-10-15(26-2)11-9-13/h3-11H,1-2H3,(H,21,25)(H2,19,22,27)
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n/an/an/an/a 1.42E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75635
PNG
(2-[[2-(2-fluoroanilino)-2-keto-ethyl]-methyl-amino...)
Show SMILES CN(CC(=O)Nc1ccccc1F)CC(=O)Nc1ccc(F)c(F)c1F
Show InChI InChI=1S/C17H15F4N3O2/c1-24(8-14(25)22-12-5-3-2-4-10(12)18)9-15(26)23-13-7-6-11(19)16(20)17(13)21/h2-7H,8-9H2,1H3,(H,22,25)(H,23,26)
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n/an/an/an/a 1.58E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM64222
PNG
(2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2...)
Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)N\[NH+]=C\[c-]2cc(ccc2=O)[N+]([O-])=O)c1C
Show InChI InChI=1S/C17H17N4O6/c1-4-27-17(24)14-9(2)15(19-10(14)3)16(23)20-18-8-11-7-12(21(25)26)5-6-13(11)22/h5-8,19H,4H2,1-3H3,(H,20,23)/q-1/p+1/b18-8+
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n/an/an/an/a 1.21E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75670
PNG
(2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-methyl-...)
Show SMILES COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C
Show InChI InChI=1S/C22H25N3O5S/c1-15-9-11-19(12-10-15)25(31(27,28)22-16(2)24-30-17(22)3)14-21(26)23-13-18-7-5-6-8-20(18)29-4/h5-12H,13-14H2,1-4H3,(H,23,26)
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n/an/an/an/a 8.60E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75698
PNG
(MLS002161453 | N-(1H-benzimidazol-2-yl)-2-(brosyla...)
Show SMILES CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H15BrN4O3S/c1-10(21-25(23,24)12-8-6-11(17)7-9-12)15(22)20-16-18-13-4-2-3-5-14(13)19-16/h2-10,21H,1H3,(H2,18,19,20,22)
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n/an/an/an/a 1.10E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75699
PNG
(MLS002153695 | RI-MS | SMR001231073 | cid_25163023)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCSC)nn1)n1cc(CCCCN=C(N)N)nn1
Show InChI InChI=1S/C64H111N19O8S/c1-5-42-89-44-46-91-47-45-90-43-33-70-62-71-63(80-38-34-78(35-39-80)56(85)28-19-15-11-7-9-13-17-22-30-67-59(87)55(51-84)82-49-54(74-76-82)27-25-48-92-4)73-64(72-62)81-40-36-79(37-41-81)57(86)29-20-16-12-8-10-14-18-23-31-68-60(88)58(52(3)6-2)83-50-53(75-77-83)26-21-24-32-69-61(65)66/h1,49-50,52,55,58,84H,6-48,51H2,2-4H3,(H,67,87)(H,68,88)(H4,65,66,69)(H,70,71,72,73)/t52-,55-,58-/m0/s1
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n/an/an/an/a 4.07E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75705
PNG
(5-N-benzyl-5-N-methyl-4-N-(1,3-thiazol-2-yl)-1H-im...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)Nc1nccs1
Show InChI InChI=1S/C16H15N5O2S/c1-21(9-11-5-3-2-4-6-11)15(23)13-12(18-10-19-13)14(22)20-16-17-7-8-24-16/h2-8,10H,9H2,1H3,(H,18,19)(H,17,20,22)
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n/an/an/an/a 1.01E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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n/an/an/an/a 1.07E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM32284
PNG
((6E)-2-methoxy-6-[([1,2,4]triazolo[3,4-a]phthalazi...)
Show SMILES COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O
Show InChI InChI=1S/C17H14N6O2/c1-25-14-8-4-5-11(15(14)24)9-18-20-16-12-6-2-3-7-13(12)17-21-19-10-23(17)22-16/h2-8,10,24H,9H2,1H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75631
PNG
(MLS000678070 | N'-[1-oxo-2-[(3,6,8-trimethyl-2-qui...)
Show SMILES Cc1cc(C)c2nc(SCC(=O)NNC(=O)c3ccco3)c(C)cc2c1
Show InChI InChI=1S/C19H19N3O3S/c1-11-7-12(2)17-14(8-11)9-13(3)19(20-17)26-10-16(23)21-22-18(24)15-5-4-6-25-15/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24)
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n/an/an/an/a 1.27E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay 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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75647
PNG
(4-isopropoxy-N-(1H-1,2,4-triazol-5-yl)benzamide | ...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1nnc[nH]1
Show InChI InChI=1S/C12H14N4O2/c1-8(2)18-10-5-3-9(4-6-10)11(17)15-12-13-7-14-16-12/h3-8H,1-2H3,(H2,13,14,15,16,17)
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n/an/an/an/a 1.14E+4n/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/Q2ST7N9K
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

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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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75662
PNG
(1-[3,4-dimethyl-2-(4-methylphenyl)-7-pyrazolo[3,4-...)
Show SMILES COc1ccccc1CCNC(=O)C1CCN(CC1)c1nnc(C)c2c(C)n(nc12)-c1ccc(C)cc1
Show InChI InChI=1S/C29H34N6O2/c1-19-9-11-24(12-10-19)35-21(3)26-20(2)31-32-28(27(26)33-35)34-17-14-23(15-18-34)29(36)30-16-13-22-7-5-6-8-25(22)37-4/h5-12,23H,13-18H2,1-4H3,(H,30,36)
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n/an/an/an/a 2.31E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75679
PNG
(4-chloranyl-3-[[(2-hydroxyphenyl)carbonylamino]car...)
Show SMILES COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C22H20ClN3O6S/c1-26(18-8-4-6-10-20(18)32-2)33(30,31)14-11-12-17(23)16(13-14)22(29)25-24-21(28)15-7-3-5-9-19(15)27/h3-13,27H,1-2H3,(H,24,28)(H,25,29)
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n/an/an/an/a 1.15E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75682
PNG
(MLS001146570 | N-[(2-chloranyl-6-fluoranyl-phenyl)...)
Show SMILES Fc1cccc(Cl)c1C=NNC(=O)c1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H12ClFN4O/c15-10-2-1-3-11(16)9(10)7-17-20-14(21)13-6-12(18-19-13)8-4-5-8/h1-3,6-8H,4-5H2,(H,18,19)(H,20,21)/b17-7+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75688
PNG
(1-(4-methylphenyl)-3-[(3-oxidanylnaphthalen-2-yl)c...)
Show SMILES Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1
Show InChI InChI=1S/C19H17N3O3/c1-12-6-8-15(9-7-12)20-19(25)22-21-18(24)16-10-13-4-2-3-5-14(13)11-17(16)23/h2-11,23H,1H3,(H,21,24)(H2,20,22,25)
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n/an/an/an/a 9.83E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75632
PNG
(2-Oxo-1,2,3,4-tetrahydro-benzo[4,5]imidazo[1,2-a]p...)
Show SMILES Cc1ccc(NC(=O)C2CC(=O)Nc3nc4ccccc4n23)c(C)c1
Show InChI InChI=1S/C19H18N4O2/c1-11-7-8-13(12(2)9-11)20-18(25)16-10-17(24)22-19-21-14-5-3-4-6-15(14)23(16)19/h3-9,16H,10H2,1-2H3,(H,20,25)(H,21,22,24)
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n/an/an/an/a 3.45E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75643
PNG
((2Z)-3-hydroxy-1-(5-hydroxy-3-methyl-1-{4-[3-(trif...)
Show SMILES CC(=O)CC(=O)c1c(C)[nH]n(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1=O
Show InChI InChI=1S/C18H14F3N3O3S/c1-9(25)6-14(26)15-10(2)23-24(16(15)27)17-22-13(8-28-17)11-4-3-5-12(7-11)18(19,20)21/h3-5,7-8,23H,6H2,1-2H3
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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/Q2ST7N9K
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/Q2ST7N9K
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/Q2ST7N9K
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/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75659
PNG
(1-[[(E)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-d...)
Show SMILES COc1ccc(O)c(C=NNC(=S)NCCc2ccccc2)c1
Show InChI InChI=1S/C17H19N3O2S/c1-22-15-7-8-16(21)14(11-15)12-19-20-17(23)18-10-9-13-5-3-2-4-6-13/h2-8,11-12,21H,9-10H2,1H3,(H2,18,20,23)
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n/an/an/an/a 1.31E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75665
PNG
(MLS001101286 | N-[2-[1-(2-ethoxybenzyl)-4-piperidy...)
Show SMILES CCOc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCc1ccccc1
Show InChI InChI=1S/C26H32N4O2/c1-2-32-24-11-7-6-10-22(24)20-29-18-15-23(16-19-29)30-25(14-17-27-30)28-26(31)13-12-21-8-4-3-5-9-21/h3-11,14,17,23H,2,12-13,15-16,18-20H2,1H3,(H,28,31)
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n/an/an/an/a 5.99E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75675
PNG
(1-[2-(3,4-dichlorophenyl)ethanoylamino]-3-(oxolan-...)
Show SMILES Clc1ccc(CC(=O)NNC(=S)NCC2CCCO2)cc1Cl
Show InChI InChI=1S/C14H17Cl2N3O2S/c15-11-4-3-9(6-12(11)16)7-13(20)18-19-14(22)17-8-10-2-1-5-21-10/h3-4,6,10H,1-2,5,7-8H2,(H,18,20)(H2,17,19,22)
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n/an/an/an/a 1.43E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM65665
PNG
(1-[(2-bromobenzoyl)amino]-3-cyclohexyl-thiourea | ...)
Show SMILES Brc1ccccc1C(=O)NNC(=S)NC1CCCCC1
Show InChI InChI=1S/C14H18BrN3OS/c15-12-9-5-4-8-11(12)13(19)17-18-14(20)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,19)(H2,16,18,20)
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n/an/an/an/a 1.21E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75678
PNG
(2-(4-bromanylphenoxy)-N-(3-imidazol-1-ylpropyl)eth...)
Show SMILES Brc1ccc(OCC(=O)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C14H16BrN3O2/c15-12-2-4-13(5-3-12)20-10-14(19)17-6-1-8-18-9-7-16-11-18/h2-5,7,9,11H,1,6,8,10H2,(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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75681
PNG
(1-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonyl...)
Show SMILES Cc1nn(C)c(C(=O)NNC(=S)NCc2ccccc2)c1Cl
Show InChI InChI=1S/C14H16ClN5OS/c1-9-11(15)12(20(2)19-9)13(21)17-18-14(22)16-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,17,21)(H2,16,18,22)
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n/an/an/an/a 1.48E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75684
PNG
(1-cyclohexyl-3-[(3-methylthiophen-2-yl)carbonylami...)
Show SMILES Cc1ccsc1C(=O)NNC(=S)NC1CCCCC1
Show InChI InChI=1S/C13H19N3OS2/c1-9-7-8-19-11(9)12(17)15-16-13(18)14-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17)(H2,14,16,18)
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n/an/an/an/a 1.03E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75706
PNG
(MLS002248235 | N'-(3,5-dimethoxybenzoyl)-3-methyl-...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C19H18N4O5/c1-23-19(26)15-7-5-4-6-14(15)16(22-23)18(25)21-20-17(24)11-8-12(27-2)10-13(9-11)28-3/h4-10H,1-3H3,(H,20,24)(H,21,25)
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n/an/an/an/a 1.18E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75617
PNG
((5E)-5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylide...)
Show SMILES Cc1ccc(O)c(c1)-c1cc([nH]n1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C19H17N3O4/c1-11-2-4-16(23)13(6-11)14-8-15(22-21-14)19(24)20-9-12-3-5-17-18(7-12)26-10-25-17/h2-8,23H,9-10H2,1H3,(H,20,24)(H,21,22)
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n/an/an/an/a 1.30E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75621
PNG
(2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C12H14N4O2/c1-7-6-10(17)14-12(13-7)16-11(18)8-4-2-3-5-9(8)15-16/h6,15H,2-5H2,1H3,(H,13,14,17)
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n/an/an/an/a 9.58E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM43795
PNG
(MLS-0093538.0001 | N'-[2-(3,5-dimethylphenoxy)-1-o...)
Show SMILES Cc1cc([nH]n1)C(=O)NNC(=O)COc1cc(C)cc(C)c1
Show InChI InChI=1S/C15H18N4O3/c1-9-4-10(2)6-12(5-9)22-8-14(20)18-19-15(21)13-7-11(3)16-17-13/h4-7H,8H2,1-3H3,(H,16,17)(H,18,20)(H,19,21)
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n/an/an/an/a 1.27E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75629
PNG
(MLS000529875 | N'-(4-fluoranyl-1,3-benzothiazol-2-...)
Show SMILES Fc1cccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc12
Show InChI InChI=1S/C17H10FN3O3S/c18-10-5-3-7-14-15(10)19-17(25-14)21-20-16(23)13-8-11(22)9-4-1-2-6-12(9)24-13/h1-8H,(H,19,21)(H,20,23)
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n/an/an/an/a 1.03E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM62366
PNG
(2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [3-cy...)
Show SMILES Cc1cc(Br)ccc1SCC(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H16BrN3O3S/c1-12-8-13(21)6-7-18(12)28-11-19(26)27-10-17(25)14(9-22)20-23-15-4-2-3-5-16(15)24-20/h2-8,14H,10-11H2,1H3,(H,23,24)
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n/an/an/an/a 1.34E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75633
PNG
(1-[2-(4-ethoxyphenyl)ethanoylamino]-3-(2-phenyleth...)
Show SMILES CCOc1ccc(CC(=O)NNC(=S)NCCc2ccccc2)cc1
Show InChI InChI=1S/C19H23N3O2S/c1-2-24-17-10-8-16(9-11-17)14-18(23)21-22-19(25)20-13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,23)(H2,20,22,25)
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n/an/an/an/a 1.31E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM60205
PNG
(MLS001006819 | N,N'-bis(4-keto-2-thioxo-thiazolidi...)
Show SMILES Oc1csc(=S)n1NC(=O)C(=O)Nn1c(O)csc1=S
Show InChI InChI=1S/C8H6N4O4S4/c13-3-1-19-7(17)11(3)9-5(15)6(16)10-12-4(14)2-20-8(12)18/h1-2,13-14H,(H,9,15)(H,10,16)
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n/an/an/an/a 9.21E+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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75664
PNG
(MLS001083067 | N-[2-(1-o-anisyl-4-piperidyl)pyrazo...)
Show SMILES COc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
Show InChI InChI=1S/C26H32N4O2/c1-32-24-12-6-5-11-22(24)20-29-18-15-23(16-19-29)30-25(14-17-27-30)28-26(31)13-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,14,17,23H,7,10,13,15-16,18-20H2,1H3,(H,28,31)
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n/an/an/an/a 7.40E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM58701
PNG
(1-cyclohexyl-3-(1-p-cumenylpropyl)thiourea | 1-cyc...)
Show SMILES CCC(NC(=S)NC1CCCCC1)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C19H30N2S/c1-4-18(16-12-10-15(11-13-16)14(2)3)21-19(22)20-17-8-6-5-7-9-17/h10-14,17-18H,4-9H2,1-3H3,(H2,20,21,22)
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n/an/an/an/a 8.12E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75686
PNG
(MLS001072358 | N-[2-[1-(4-fluoro-3-methoxy-benzyl)...)
Show SMILES COc1cc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)ccc1F
Show InChI InChI=1S/C26H31FN4O2/c1-33-24-18-21(10-11-23(24)27)19-30-16-13-22(14-17-30)31-25(12-15-28-31)29-26(32)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-12,15,18,22H,5,8-9,13-14,16-17,19H2,1H3,(H,29,32)
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n/an/an/an/a 6.87E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM65711
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[4-(dieth...)
Show SMILES CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)c(O)c1
Show InChI InChI=1S/C19H25N9O3/c1-5-27(6-2)13-8-7-12(14(29)9-13)10-21-23-19(30)15-16(11(3)4)28(26-22-15)18-17(20)24-31-25-18/h7-11,29H,5-6H2,1-4H3,(H2,20,24)(H,23,30)
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n/an/an/an/a 1.05E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75689
PNG
(MLS001075932 | N-(nicotinamidothiocarbamoyl)benzam...)
Show SMILES O=C(NNC(=S)NC(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H12N4O2S/c19-12(10-5-2-1-3-6-10)16-14(21)18-17-13(20)11-7-4-8-15-9-11/h1-9H,(H,17,20)(H2,16,18,19,21)
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n/an/an/an/a 1.21E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75701
PNG
(3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-(3-methyl...)
Show SMILES Cc1cccc(NS(=O)(=O)c2cccc(c2)C(=O)NNC(=O)c2ccccc2O)c1
Show InChI InChI=1S/C21H19N3O5S/c1-14-6-4-8-16(12-14)24-30(28,29)17-9-5-7-15(13-17)20(26)22-23-21(27)18-10-2-3-11-19(18)25/h2-13,24-25H,1H3,(H,22,26)(H,23,27)
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n/an/an/an/a 1.61E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
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)


BindingDB Entry DOI: 10.7270/Q2ST7N9K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%