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Compile Data Set for Download or QSAR

Found 456 hits of ec50 data for polymerid = 50001830   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39647
PNG
(3-(4-chlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-...)
Show SMILES Cc1ccc(cc1)C1CC(=NNC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c1-11-2-4-12(5-3-11)15-10-16(19-20-17(15)21)13-6-8-14(18)9-7-13/h2-9,15H,10H2,1H3,(H,20,21)
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n/an/an/an/a 203n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39657
PNG
(MLS000523074 | N-(4-fluorobenzyl)-2-(2-keto-6-pyrr...)
Show SMILES Fc1ccc(CNC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCCC2)cc1
Show InChI InChI=1S/C20H20FN3O5S/c21-15-5-3-14(4-6-15)12-22-19(25)13-24-17-8-7-16(11-18(17)29-20(24)26)30(27,28)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,22,25)
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n/an/an/an/a 457n/an/an/an/a



Burnham Center for Chemical Genomics

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Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 550n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 663n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 718n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39784
PNG
((5E)-1-(3-methylphenyl)-5-[(1-phenyl-4-pyrazolyl)m...)
Show SMILES Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cnn(c2)-c2ccccc2)C1=O
Show InChI InChI=1S/C21H16N4O3/c1-14-6-5-9-17(10-14)25-20(27)18(19(26)23-21(25)28)11-15-12-22-24(13-15)16-7-3-2-4-8-16/h2-13H,1H3,(H,23,26,28)
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n/an/an/an/a 1.09E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.91E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39611
PNG
(1-(2-keto-2-pyrrolidino-ethyl)-3-phenyl-thieno[3,2...)
Show SMILES O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)N1CCCC1
Show InChI InChI=1S/C18H17N3O3S/c22-15(19-9-4-5-10-19)12-20-14-8-11-25-16(14)17(23)21(18(20)24)13-6-2-1-3-7-13/h1-3,6-8,11H,4-5,9-10,12H2
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n/an/an/an/a 2.65E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


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Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39778
PNG
(MLS000325589 | N-(4-methylphenyl)-3-[[3-(trifluoro...)
Show SMILES Cc1ccc(NC(=O)c2sccc2SCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3NOS2/c1-13-5-7-16(8-6-13)24-19(25)18-17(9-10-26-18)27-12-14-3-2-4-15(11-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,25)
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n/an/an/an/a 3.31E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 5.73E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 7.82E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39646
PNG
(2-(4-benzoylphenyl)-2-(4-fluorophenyl)acetonitrile...)
Show SMILES Fc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H14FNO/c22-19-12-10-16(11-13-19)20(14-23)15-6-8-18(9-7-15)21(24)17-4-2-1-3-5-17/h1-13,20H
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n/an/an/an/a 7.89E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


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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/an/an/a 8.03E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 8.04E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39595
PNG
(MLS000082269 | N,N-dimethyl-4-(1-propan-2-yl-2-ben...)
Show SMILES CC(C)n1c(nc2ccccc12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H21N3/c1-13(2)21-17-8-6-5-7-16(17)19-18(21)14-9-11-15(12-10-14)20(3)4/h5-13H,1-4H3
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n/an/an/an/a 8.52E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


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Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39679
PNG
((Z)-[2-keto-3-(p-tolyl)-5-pyridin-1-ium-1-yl-3-imi...)
Show SMILES Cc1ccc(cc1)-n1c(C=O)c([n-]c1=O)-[n+]1ccccc1
Show InChI InChI=1S/C16H13N3O2/c1-12-5-7-13(8-6-12)19-14(11-20)15(17-16(19)21)18-9-3-2-4-10-18/h2-11H,1H3
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n/an/an/an/a 9.08E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 9.19E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 9.75E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 9.82E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM60945
PNG
(5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-die...)
Show SMILES Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12
Show InChI InChI=1S/C18H17N5O4S/c19-16-11(7-10-3-4-12(24)13(25)8-10)17(27)20-18-23(16)21-14(28-18)9-15(26)22-5-1-2-6-22/h3-4,7-8,25H,1-2,5-6,9,19H2/b10-7-
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n/an/an/an/a 9.83E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.05E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.05E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM39762
PNG
(1-(4-ethoxybenzyl)-3-[(4-nitrobenzylidene)amino]th...)
Show SMILES CCOc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H18N4O3S/c1-2-24-16-9-5-13(6-10-16)11-18-17(25)20-19-12-14-3-7-15(8-4-14)21(22)23/h3-10,12H,2,11H2,1H3,(H2,18,20,25)
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n/an/an/an/a 1.09E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.09E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.10E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.12E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.15E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM50252093
PNG
(6-hydroxybenzo[d][1,3]oxathiol-2-one | CHEMBL44268...)
Show SMILES Oc1ccc2sc(=O)oc2c1
Show InChI InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H
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n/an/an/an/a 1.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.23E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.25E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.25E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.27E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM76183
PNG
(2,5-dimethyl-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-y...)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Show InChI InChI=1S/C16H16N4O3S2/c1-10-3-4-11(2)15(7-10)25(22,23)20-12-5-6-13(21)14(8-12)24-16-17-9-18-19-16/h3-9,20-21H,1-2H3,(H,17,18,19)
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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


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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.32E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.32E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.34E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.35E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.35E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.36E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.36E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.37E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.39E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.39E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.43E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.44E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.45E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.47E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.47E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(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 1.52E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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Ligand-Target Pair
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