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PubChem AID 1450

Compile data set for download or QSAR
Found 39 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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43792
PNG
(MLS-0240968.0001 | N-[3-(diethylamino)propyl]-4-[(...)
Show SMILES CCN(CC)CCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C21H30N8O2/c1-4-28(5-2)14-8-13-22-18(30)11-12-19(31)25-26-21-24-17-10-7-6-9-16(17)20-23-15(3)27-29(20)21/h6-7,9-10H,4-5,8,11-14H2,1-3H3,(H,22,30)(H,24,26)(H,25,31)
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n/an/an/an/a 9.96E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43815
PNG
(2-[ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]amino]...)
Show SMILES CCN(CC(=O)Nc1cccc(F)c1)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C19H19FN4O2/c1-2-24(12-18(25)21-14-7-5-6-13(20)10-14)11-17-22-16-9-4-3-8-15(16)19(26)23-17/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,23,26)
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n/an/an/an/a 1.82E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43802
PNG
(MLS-0255229.0001 | N-[(2,2-diphenylethanoylamino)c...)
Show SMILES CC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H17N3O2S/c1-12(21)18-17(23)20-19-16(22)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3,(H,19,22)(H2,18,20,21,23)
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n/an/an/an/a 3.47E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM39747
PNG
(1-benzyl-N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-...)
Show SMILES CCn1nc(C)c(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c1C
Show InChI InChI=1S/C26H29N5O/c1-6-31-20(5)24(18(3)29-31)15-27-28-26(32)22-12-13-25-23(14-22)17(2)19(4)30(25)16-21-10-8-7-9-11-21/h7-15H,6,16H2,1-5H3,(H,28,32)
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n/an/an/an/a 2.09E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43810
PNG
(1-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonyl...)
Show SMILES Cc1nn(C)c(C(=O)NNC(=S)Nc2ccc(C)cc2)c1Cl
Show InChI InChI=1S/C14H16ClN5OS/c1-8-4-6-10(7-5-8)16-14(22)18-17-13(21)12-11(15)9(2)19-20(12)3/h4-7H,1-3H3,(H,17,21)(H2,16,18,22)
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n/an/an/an/a 1.94E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43812
PNG
(2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methyl-im...)
Show SMILES Cc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12
Show InChI InChI=1S/C16H14N4S/c1-11-5-4-8-15-17-12(9-20(11)15)10-21-16-18-13-6-2-3-7-14(13)19-16/h2-9H,10H2,1H3,(H,18,19)
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n/an/an/an/a 3.95E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43818
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzox...)
Show SMILES CCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C\c1oc2ccc(cc2[n+]1CC)-c1ccccc1
Show InChI InChI=1S/C33H29N2O2/c1-3-34-28-22-26(24-12-7-5-8-13-24)18-20-30(28)36-32(34)16-11-17-33-35(4-2)29-23-27(19-21-31(29)37-33)25-14-9-6-10-15-25/h5-23H,3-4H2,1-2H3/q+1
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n/an/an/an/a 3.30E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43798
PNG
((1-benzylbenzimidazol-2-yl)methyl-[1-(2-piperidino...)
Show SMILES C(Cn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12)N1CCCCC1
Show InChI InChI=1S/C29H32N6/c1-3-11-23(12-4-1)22-35-27-16-8-5-13-24(27)31-28(35)21-30-29-32-25-14-6-7-15-26(25)34(29)20-19-33-17-9-2-10-18-33/h1,3-8,11-16H,2,9-10,17-22H2,(H,30,32)
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n/an/an/an/a 2.74E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM32715
PNG
(2-(5-keto-3-methyl-3-pyrazolin-1-yl)-6-methyl-1H-p...)
Show SMILES Cc1cc(=O)n([nH]1)-c1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C9H10N4O2/c1-5-3-7(14)11-9(10-5)13-8(15)4-6(2)12-13/h3-4,12H,1-2H3,(H,10,11,14)
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n/an/an/an/a 9.64E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(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<195n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43789
PNG
(3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide | 3-...)
Show SMILES O=C(CCc1ccccc1)Nc1nnc[nH]1
Show InChI InChI=1S/C11H12N4O/c16-10(14-11-12-8-13-15-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,14,15,16)
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n/an/an/an/a 1.82E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43794
PNG
(MLS-0239623.0001 | N'-[1-(4-methylphenyl)-4-pyrazo...)
Show SMILES CC(=O)NNc1ncnc2n(ncc12)-c1ccc(C)cc1
Show InChI InChI=1S/C14H14N6O/c1-9-3-5-11(6-4-9)20-14-12(7-17-20)13(15-8-16-14)19-18-10(2)21/h3-8H,1-2H3,(H,18,21)(H,15,16,19)
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n/an/an/an/a 8.63E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43813
PNG
(5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methyl...)
Show SMILES Cc1ccccc1-n1nc(CSc2nc3ccccc3[nH]2)c(c1N)-c1ccccc1
Show InChI InChI=1S/C24H21N5S/c1-16-9-5-8-14-21(16)29-23(25)22(17-10-3-2-4-11-17)20(28-29)15-30-24-26-18-12-6-7-13-19(18)27-24/h2-14H,15,25H2,1H3,(H,26,27)
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n/an/an/an/a 1.86E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43783
PNG
(1-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonyla...)
Show SMILES COc1ccccc1NC(=S)NNC(=O)c1nn(C)c(C)c1Br
Show InChI InChI=1S/C14H16BrN5O2S/c1-8-11(15)12(19-20(8)2)13(21)17-18-14(23)16-9-6-4-5-7-10(9)22-3/h4-7H,1-3H3,(H,17,21)(H2,16,18,23)
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n/an/an/an/a 1.82E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43786
PNG
(1-[(5-bromanylfuran-2-yl)carbonylamino]-3-(2,5-dim...)
Show SMILES Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(Br)o2)c1
Show InChI InChI=1S/C14H14BrN3O2S/c1-8-3-4-9(2)10(7-8)16-14(21)18-17-13(19)11-5-6-12(15)20-11/h3-7H,1-2H3,(H,17,19)(H2,16,18,21)
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n/an/an/an/a 2.07E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43791
PNG
(MLS-0240697.0001 | N-(3-ethoxypropyl)-4-[(2-methyl...)
Show SMILES CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C19H25N7O3/c1-3-29-12-6-11-20-16(27)9-10-17(28)23-24-19-22-15-8-5-4-7-14(15)18-21-13(2)25-26(18)19/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,20,27)(H,22,24)(H,23,28)
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n/an/an/an/a 9.41E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM39585
PNG
(5-(4-methoxyphenyl)-N-(2-pyridinylmethyl)-[1,2,4]t...)
Show SMILES COc1ccc(cc1)-c1cc(NCc2ccccn2)n2ncnc2n1
Show InChI InChI=1S/C18H16N6O/c1-25-15-7-5-13(6-8-15)16-10-17(24-18(23-16)21-12-22-24)20-11-14-4-2-3-9-19-14/h2-10,12,20H,11H2,1H3
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n/an/an/an/a 1.65E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43805
PNG
(1-benzyl-3-(ethylcarbamothioylamino)thiourea | 1-b...)
Show SMILES CCNC(=S)NNC(=S)NCc1ccccc1
Show InChI InChI=1S/C11H16N4S2/c1-2-12-10(16)14-15-11(17)13-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,14,16)(H2,13,15,17)
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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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM38931
PNG
(6-methyl-2-[3-methyl-5-(4-methylanilino)-1-pyrazol...)
Show SMILES Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C16H17N5O/c1-10-4-6-13(7-5-10)18-14-8-12(3)20-21(14)16-17-11(2)9-15(22)19-16/h4-9,18H,1-3H3,(H,17,19,22)
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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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43814
PNG
((3Z)-1-butyl-3-[(2-hydroxyphenyl)hydrazinylidene]-...)
Show SMILES CCCCN1C(=O)C(=NNc2ccccc2O)c2ccccc12
Show InChI InChI=1S/C18H19N3O2/c1-2-3-12-21-15-10-6-4-8-13(15)17(18(21)23)20-19-14-9-5-7-11-16(14)22/h4-11,19,22H,2-3,12H2,1H3
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n/an/an/an/a<195n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43787
PNG
(1-[(4-ethyl-5-methyl-thiophen-3-yl)carbonylamino]-...)
Show SMILES CCc1c(C)scc1C(=O)NNC(=S)NCC1CCCO1
Show InChI InChI=1S/C14H21N3O2S2/c1-3-11-9(2)21-8-12(11)13(18)16-17-14(20)15-7-10-5-4-6-19-10/h8,10H,3-7H2,1-2H3,(H,16,18)(H2,15,17,20)
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n/an/an/an/a 1.86E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43799
PNG
(2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(meth...)
Show SMILES CCc1ccc2nc(Nc3nc(COC)cc(=O)[nH]3)nc(C)c2c1
Show InChI InChI=1S/C17H19N5O2/c1-4-11-5-6-14-13(7-11)10(2)18-16(20-14)22-17-19-12(9-24-3)8-15(23)21-17/h5-8H,4,9H2,1-3H3,(H2,18,19,20,21,22,23)
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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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43801
PNG
(2-nitro-N-[[(2-nitrobenzoyl)amino]carbamothioyl]be...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H11N5O6S/c21-13(9-5-1-3-7-11(9)19(23)24)16-15(27)18-17-14(22)10-6-2-4-8-12(10)20(25)26/h1-8H,(H,17,22)(H2,16,18,21,27)
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n/an/an/an/a 2.66E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43803
PNG
(2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES CCCc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C14H18N4O2/c1-2-5-9-8-12(19)16-14(15-9)18-13(20)10-6-3-4-7-11(10)17-18/h8,17H,2-7H2,1H3,(H,15,16,19)
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n/an/an/an/a 9.76E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM39754
PNG
(1-benzyl-N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl...)
Show SMILES CCn1ncc(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c1C
Show InChI InChI=1S/C25H27N5O/c1-5-30-19(4)22(15-27-30)14-26-28-25(31)21-11-12-24-23(13-21)17(2)18(3)29(24)16-20-9-7-6-8-10-20/h6-15H,5,16H2,1-4H3,(H,28,31)
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n/an/an/an/a 1.67E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43788
PNG
(2-N'-(4-chlorophenyl)sulfonyl-1-N'-pyridin-2-yleth...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1
Show InChI InChI=1S/C13H12ClN5O4S/c14-9-4-6-10(7-5-9)24(22,23)19-18-13(21)12(20)17-16-11-3-1-2-8-15-11/h1-8,19H,(H,15,16)(H,17,20)(H,18,21)
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n/an/an/an/a 1.09E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43790
PNG
(4-keto-N-(2-methoxyethyl)-4-[N'-(2-methyl-[1,2,4]t...)
Show SMILES COCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C17H21N7O3/c1-11-19-16-12-5-3-4-6-13(12)20-17(24(16)23-11)22-21-15(26)8-7-14(25)18-9-10-27-2/h3-6H,7-10H2,1-2H3,(H,18,25)(H,20,22)(H,21,26)
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n/an/an/an/a 8.92E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43796
PNG
(1-cyclohexyl-3-(veratroylamino)thiourea | 1-cycloh...)
Show SMILES COc1ccc(cc1OC)C(=O)NNC(=S)NC1CCCCC1
Show InChI InChI=1S/C16H23N3O3S/c1-21-13-9-8-11(10-14(13)22-2)15(20)18-19-16(23)17-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,20)(H2,17,19,23)
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n/an/an/an/a 1.94E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43797
PNG
(1-[(4-methoxyphenyl)-phenyl-methyl]-3-[2-(3-prop-1...)
Show SMILES COc1ccc(cc1)C(NC(=O)NC(C)(C)c1cccc(c1)C(C)=C)c1ccccc1
Show InChI InChI=1S/C27H30N2O2/c1-19(2)22-12-9-13-23(18-22)27(3,4)29-26(30)28-25(20-10-7-6-8-11-20)21-14-16-24(31-5)17-15-21/h6-18,25H,1H2,2-5H3,(H2,28,29,30)
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n/an/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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43809
PNG
(1-[(2-cyclopropylquinolin-4-yl)carbonylamino]-3-et...)
Show SMILES CCNC(=S)NNC(=O)c1cc(nc2ccccc12)C1CC1
Show InChI InChI=1S/C16H18N4OS/c1-2-17-16(22)20-19-15(21)12-9-14(10-7-8-10)18-13-6-4-3-5-11(12)13/h3-6,9-10H,2,7-8H2,1H3,(H,19,21)(H2,17,20,22)
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n/an/an/an/a 2.05E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43785
PNG
(1-[[2-(difluoromethoxy)benzoyl]amino]-3-(4-methylp...)
Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccccc2OC(F)F)cc1
Show InChI InChI=1S/C16H15F2N3O2S/c1-10-6-8-11(9-7-10)19-16(24)21-20-14(22)12-4-2-3-5-13(12)23-15(17)18/h2-9,15H,1H3,(H,20,22)(H2,19,21,24)
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n/an/an/an/a 1.96E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43804
PNG
(4-bromanyl-N'-(3-bromophenyl)carbonyl-1-methyl-pyr...)
Show SMILES Cn1cc(Br)c(n1)C(=O)NNC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C12H10Br2N4O2/c1-18-6-9(14)10(17-18)12(20)16-15-11(19)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,15,19)(H,16,20)
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n/an/an/an/a 2.02E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(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<195n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43784
PNG
(1-[(1,3-dimethylpyrazol-4-yl)carbonylamino]-3-(4-m...)
Show SMILES Cc1nn(C)cc1C(=O)NNC(=S)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H17N5OS/c1-9-4-6-11(7-5-9)15-14(21)17-16-13(20)12-8-19(3)18-10(12)2/h4-8H,1-3H3,(H,16,20)(H2,15,17,21)
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n/an/an/an/a 3.66E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43793
PNG
(MLS-0239358.0001 | N'-[1-(2,4-dimethylphenyl)-4-py...)
Show SMILES Cc1ccc(c(C)c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C18H16N6O2/c1-11-5-6-14(12(2)8-11)24-17-13(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 7.97E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43800
PNG
(MLS-0096316.0001 | N'-[2-(4-methoxyphenoxy)-1-oxoe...)
Show SMILES COc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C15H15N3O4/c1-21-11-5-7-12(8-6-11)22-10-14(19)17-18-15(20)13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,17,19)(H,18,20)
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n/an/an/an/a 2.00E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43808
PNG
(1-butyl-3-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)...)
Show SMILES CCCCNC(=S)NNC(=O)c1nn(C)c(C)c1Cl
Show InChI InChI=1S/C11H18ClN5OS/c1-4-5-6-13-11(19)15-14-10(18)9-8(12)7(2)17(3)16-9/h4-6H2,1-3H3,(H,14,18)(H2,13,15,19)
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n/an/an/an/a 3.46E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM43811
PNG
(1-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)carbonyl...)
Show SMILES Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccc(C)cc1
Show InChI InChI=1S/C14H16ClN5OS/c1-8-4-6-10(7-5-8)16-14(22)18-17-13(21)12-11(15)9(2)20(3)19-12/h4-7H,1-3H3,(H,17,21)(H2,16,18,22)
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n/an/an/an/a 1.81E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(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 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/Q20K26Z8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%