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PubChem AID 488892

Compile data set for download or QSAR
Found 23 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 placental-like


(Homo sapiens)
BDBM50248691
PNG
((1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O
Show InChI InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
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n/an/a 2.71E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39617
PNG
(3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-benzop...)
Show SMILES CNc1nnc(s1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C12H9N3O2S/c1-13-12-15-14-10(18-12)8-6-7-4-2-3-5-9(7)17-11(8)16/h2-6H,1H3,(H,13,15)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 5.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM60729
PNG
(3-[2-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-yli...)
Show SMILES Oc1ccc(C=NNC2=c3ccccc3=NC2=O)cc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-6-5-9(7-13(12)20)8-16-18-14-10-3-1-2-4-11(10)17-15(14)21/h1-8,19-20H,(H,17,18,21)
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n/an/a 8.64E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM51017
PNG
((5E)-3-allyl-2-thioxo-5-[(2E)-2-(1,3,3-trimethyl-1...)
Show SMILES CN1\C(=C\C=C2\SC(=S)N(CC=C)C2=O)C(C)(C)c2ccccc12
Show InChI InChI=1S/C19H20N2OS2/c1-5-12-21-17(22)15(24-18(21)23)10-11-16-19(2,3)13-8-6-7-9-14(13)20(16)4/h5-11H,1,12H2,2-4H3/b15-10+,16-11+
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n/an/a 1.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM48868
PNG
(1-ethyl-2-[(E)-2-(1H-indol-3-yl)ethenyl]-6-methyl-...)
Show SMILES CC[n+]1c(\C=C\c2c[nH]c3ccccc23)ccc2cc(C)ccc12
Show InChI InChI=1S/C22H20N2/c1-3-24-19(11-9-17-14-16(2)8-13-22(17)24)12-10-18-15-23-21-7-5-4-6-20(18)21/h4-15H,3H2,1-2H3/p+1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM53353
PNG
(4-[(7-chloranyl-2-methoxy-1,5-dihydrobenzo[b][1,5]...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
Show InChI InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM75745
PNG
(2-(3-hydroxy-4-methoxy-benzylidene)indane-1,3-quin...)
Show SMILES COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O
Show InChI InChI=1S/C17H12O4/c1-21-15-7-6-10(9-14(15)18)8-13-16(19)11-4-2-3-5-12(11)17(13)20/h2-9,18H,1H3
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n/an/a 1.47E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM60983
PNG
((E)-2-(3,4-dihydroxybenzoyl)-3-(4-hydroxy-3-iodo-5...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
Show InChI InChI=1S/C17H12INO5/c1-24-15-6-9(5-12(18)17(15)23)4-11(8-19)16(22)10-2-3-13(20)14(21)7-10/h2-7,20-21,23H,1H3/b11-4+
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n/an/a 1.55E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM75739
PNG
((1Z)-1-[(4-hydroxyphenyl)hydrazinylidene]-2-naphth...)
Show SMILES Oc1ccc(cc1)N=Nc1c(O)ccc2ccccc12
Show InChI InChI=1S/C16H12N2O2/c19-13-8-6-12(7-9-13)17-18-16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,19-20H
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n/an/a 1.84E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM75760
PNG
(4-(2-bromophenyl)azo-N,N-dimethylaniline | 4-[(2-b...)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1ccccc1Br
Show InChI InChI=1S/C14H14BrN3/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15/h3-10H,1-2H3/b17-16+
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n/an/a 2.79E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM53894
PNG
(2-chloranyl-N-[(5Z)-5-[(3-nitro-4-oxidanyl-phenyl)...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H10ClN3O5S2/c18-11-4-2-1-3-10(11)15(23)19-20-16(24)14(28-17(20)27)8-9-5-6-13(22)12(7-9)21(25)26/h1-8,22H,(H,19,23)/b14-8-
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n/an/a 2.79E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM75744
PNG
((2E)-3-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Show SMILES CCN1\C(Sc2cc(C)ccc12)=C/c1ccc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S/c1-4-23-18(12-11-17-8-6-7-9-19(17)23)15-22-24(5-2)20-13-10-16(3)14-21(20)25-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/a 2.82E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM66136
PNG
(2-amino-5-(3-hydroxy-6-keto-xanthen-9-yl)benzoic a...)
Show SMILES Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C20H13NO5/c21-16-6-1-10(7-15(16)20(24)25)19-13-4-2-11(22)8-17(13)26-18-9-12(23)3-5-14(18)19/h1-9,22H,21H2,(H,24,25)
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n/an/a 2.99E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM67333
PNG
(8-(dimethylamino)-10-(2,3,4,5-tetrahydroxypentyl)b...)
Show SMILES CN(C)c1ccc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2c1
Show InChI InChI=1S/C17H21N5O6/c1-21(2)8-3-4-9-10(5-8)22(6-11(24)14(26)12(25)7-23)15-13(18-9)16(27)20-17(28)19-15/h3-5,11-12,14,23-26H,6-7H2,1-2H3,(H,20,27,28)
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n/an/a 3.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39724
PNG
(4-(2-benzylsulfanylethyl)pyridine;phosphoric acid ...)
Show SMILES C(Cc1ccncc1)SCc1ccccc1
Show InChI InChI=1S/C14H15NS/c1-2-4-14(5-3-1)12-16-11-8-13-6-9-15-10-7-13/h1-7,9-10H,8,11-12H2
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n/an/a 3.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM75759
PNG
((4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-m...)
Show SMILES CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O
Show InChI InChI=1S/C13H12BrNO4/c1-3-18-11-6-8(5-10(14)12(11)16)4-9-7(2)15-19-13(9)17/h4-6,15H,3H2,1-2H3/b8-4+
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n/an/a 3.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39767
PNG
((4Z)-2-benzyl-4-[4-(dimethylamino)benzylidene]-5-m...)
Show SMILES CN(C)c1ccc(C=c2c(=C)[nH]n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C20H21N3O/c1-15-19(13-16-9-11-18(12-10-16)22(2)3)20(24)23(21-15)14-17-7-5-4-6-8-17/h4-13,21H,1,14H2,2-3H3
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n/an/a 3.78E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM69390
PNG
(2-(3,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2...)
Show SMILES CC(C)=CCc1c(O)ccc2C(=O)CC(Oc12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-5-13-15(21)8-6-14-17(23)10-19(25-20(13)14)12-4-7-16(22)18(24)9-12/h3-4,6-9,19,21-22,24H,5,10H2,1-2H3
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n/an/a 4.48E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM49612
PNG
(4-[(1,5-dimethyl-4-nitro-3-pyrazolyl)azo]-N,N-diet...)
Show SMILES CCN(CC)c1ccc(cc1)\N=N\c1nn(C)c(C)c1[N+]([O-])=O
Show InChI InChI=1S/C15H20N6O2/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-15-14(21(22)23)11(3)19(4)18-15/h7-10H,5-6H2,1-4H3/b17-16+
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n/an/a 4.90E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM75756
PNG
((E)-1-(2-furanyl)-3-(2-hydroxyphenyl)-2-propen-1-o...)
Show SMILES Oc1ccccc1\C=C\C(=O)c1ccco1
Show InChI InChI=1S/C13H10O3/c14-11-5-2-1-4-10(11)7-8-12(15)13-6-3-9-16-13/h1-9,14H/b8-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 7.54E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM75758
PNG
((1Z)-1-(4-nitrophenyl)ethanone (2-nitrophenyl)hydr...)
Show SMILES CC(N=Nc1ccccc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O4/c1-10(11-6-8-12(9-7-11)17(19)20)15-16-13-4-2-3-5-14(13)18(21)22/h2-10H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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UniChem

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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%