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PubChem AID 696

Compile Data Set for Download or QSAR

Found 254 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, germ cell type


(Homo sapiens (Human))		BDBM50247257
PNG
(CHEMBL474933 | cid_6398902 | triethylamine (E)-3-(...)
Show SMILES CN1C(=S)S\C(C1=O)=C1/C=Cc2ccccc2N1CCCS(O)(=O)=O |c:10|
Show InChI InChI=1S/C16H16N2O4S3/c1-17-15(19)14(24-16(17)23)13-8-7-11-5-2-3-6-12(11)18(13)9-4-10-25(20,21)22/h2-3,5-8H,4,9-10H2,1H3,(H,20,21,22)/b14-13+
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39578
PNG
(1-[1-[4-(2-furoyl)piperazine-1-carbonyl]cyclohexyl...)
Show SMILES O=C(Nc1ccccc1)NC1(CCCCC1)C(=O)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C23H28N4O4/c28-20(19-10-7-17-31-19)26-13-15-27(16-14-26)21(29)23(11-5-2-6-12-23)25-22(30)24-18-8-3-1-4-9-18/h1,3-4,7-10,17H,2,5-6,11-16H2,(H2,24,25,30)
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n/an/an/an/a 3.56E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39584
PNG
(5,6-Dimethyl-2-[1-(1-thiophen-2-ylmethyl-1H-tetraz...)
Show SMILES Cc1cc2nc([nH]c2cc1C)C1CCN(Cc2nnnn2Cc2cccs2)CC1
Show InChI InChI=1S/C21H25N7S/c1-14-10-18-19(11-15(14)2)23-21(22-18)16-5-7-27(8-6-16)13-20-24-25-26-28(20)12-17-4-3-9-29-17/h3-4,9-11,16H,5-8,12-13H2,1-2H3,(H,22,23)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39586
PNG
((1-amino-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c...)
Show SMILES Nc1[nH]nc2nc(NCc3ccccc3)c3CN(Cc4ccccc4)CCc3c12
Show InChI InChI=1S/C23H24N6/c24-21-20-18-11-12-29(14-17-9-5-2-6-10-17)15-19(18)22(26-23(20)28-27-21)25-13-16-7-3-1-4-8-16/h1-10H,11-15H2,(H4,24,25,26,27,28)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39590
PNG
(3-(3-phenyl-10H-pyridazino[4,3-b]quinoxalin-5-yl)-...)
Show SMILES OCCCN1c2ccccc2Nc2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H18N4O/c24-12-6-11-23-17-10-5-4-9-15(17)20-19-18(23)13-16(21-22-19)14-7-2-1-3-8-14/h1-5,7-10,13,24H,6,11-12H2,(H,20,22)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39593
PNG
(6-(3-bromophenyl)-3-(3-methoxyphenyl)-7H-[1,2,4]tr...)
Show SMILES COc1cccc(c1)-c1nnc2SCC(=Nn12)c1cccc(Br)c1 |c:15|
Show InChI InChI=1S/C17H13BrN4OS/c1-23-14-7-3-5-12(9-14)16-19-20-17-22(16)21-15(10-24-17)11-4-2-6-13(18)8-11/h2-9H,10H2,1H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM34278
PNG
(1-(3,4-dihydroxyphenyl)-2-[[4-ethyl-5-(2-methoxyph...)
Show SMILES CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
Show InChI InChI=1S/C19H19N3O4S/c1-3-22-18(13-6-4-5-7-17(13)26-2)20-21-19(22)27-11-16(25)12-8-9-14(23)15(24)10-12/h4-10,23-24H,3,11H2,1-2H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39614
PNG
(3-methyl-N,6-diphenyl-2-imidazo[2,1-b]thiazolecarb...)
Show SMILES Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H15N3OS/c1-13-17(18(23)20-15-10-6-3-7-11-15)24-19-21-16(12-22(13)19)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,23)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39616
PNG
(1-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol...)
Show SMILES COCCNC(=O)NC1(Oc2ccc(Cl)cc2O1)C(F)(F)F
Show InChI InChI=1S/C12H12ClF3N2O4/c1-20-5-4-17-10(19)18-12(11(14,15)16)21-8-3-2-7(13)6-9(8)22-12/h2-3,6H,4-5H2,1H3,(H2,17,18,19)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39620
PNG
(3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-...)
Show SMILES Cc1nnc(SCCC(=O)Nc2nc(ns2)-c2ccccc2)s1
Show InChI InChI=1S/C14H13N5OS3/c1-9-17-18-14(22-9)21-8-7-11(20)15-13-16-12(19-23-13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16,19,20)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39621
PNG
(4-methoxy-N-[2-(2-thenylthio)ethyl]benzenesulfonam...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCSCc1cccs1
Show InChI InChI=1S/C14H17NO3S3/c1-18-12-4-6-14(7-5-12)21(16,17)15-8-10-19-11-13-3-2-9-20-13/h2-7,9,15H,8,10-11H2,1H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39655
PNG
((4-butoxy-3-nitro-phenyl)methyl carbamimidothioate...)
Show SMILES CCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O
Show InChI InChI=1S/C12H17N3O3S/c1-2-3-6-18-11-5-4-9(8-19-12(13)14)7-10(11)15(16)17/h4-5,7H,2-3,6,8H2,1H3,(H3,13,14)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		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

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39662
PNG
(1-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-y...)
Show SMILES CCC(C)NC(=O)Nc1ccc2Sc3ccccc3C(=O)N(C)c2c1
Show InChI InChI=1S/C19H21N3O2S/c1-4-12(2)20-19(24)21-13-9-10-17-15(11-13)22(3)18(23)14-7-5-6-8-16(14)25-17/h5-12H,4H2,1-3H3,(H2,20,21,24)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39664
PNG
((6-bromo-1-butyl-2,3-dihydropyrrolo[2,3-b]quinolin...)
Show SMILES CCCCN1CCc2c1nc1ccc(Br)cc1c2N
Show InChI InChI=1S/C15H18BrN3/c1-2-3-7-19-8-6-11-14(17)12-9-10(16)4-5-13(12)18-15(11)19/h4-5,9H,2-3,6-8H2,1H3,(H2,17,18)
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n/an/an/an/a 7.72E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39671
PNG
(4-amino-N'-[(2,4-dichlorobenzyl)oxy]-N-(2-meth...)
Show SMILES Cc1ccccc1NC(=NOCc1ccc(Cl)cc1Cl)c1nonc1N |w:9.10|
Show InChI InChI=1S/C17H15Cl2N5O2/c1-10-4-2-3-5-14(10)21-17(15-16(20)23-26-22-15)24-25-9-11-6-7-12(18)8-13(11)19/h2-8H,9H2,1H3,(H2,20,23)(H,21,24)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39676
PNG
(1-N,3-N-dibenzyl-4-chlorobenzene-1,3-disulfonamide...)
Show SMILES Clc1ccc(cc1S(=O)(=O)NCc1ccccc1)S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C20H19ClN2O4S2/c21-19-12-11-18(28(24,25)22-14-16-7-3-1-4-8-16)13-20(19)29(26,27)23-15-17-9-5-2-6-10-17/h1-13,22-23H,14-15H2
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39684
PNG
(MLS000531178 | N-(2-tert-butylsulfanylethyl)naphth...)
Show SMILES CC(C)(C)SCCNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H21NO2S2/c1-16(2,3)20-11-10-17-21(18,19)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,17H,10-11H2,1-3H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39690
PNG
(MLS000520524 | N-(4-ethylphenyl)-3-(1-pyrrolyl)-2-...)
Show SMILES CCc1ccc(NC(=O)c2sccc2-n2cccc2)cc1
Show InChI InChI=1S/C17H16N2OS/c1-2-13-5-7-14(8-6-13)18-17(20)16-15(9-12-21-16)19-10-3-4-11-19/h3-12H,2H2,1H3,(H,18,20)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39691
PNG
(4-{2-[4-(dimethylamino)phenyl]vinyl}-1-methylpyrid...)
Show SMILES CN(C)c1ccc(\C=C\c2cc[n+](C)cc2)cc1
Show InChI InChI=1S/C16H19N2/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15/h4-13H,1-3H3/q+1
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39695
PNG
(MLS000536413 | N-(4-{5-[1-(2,4-dichlorophenoxy)eth...)
Show SMILES CC(Oc1ccc(Cl)cc1Cl)c1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H17Cl2N3O5/c1-13(33-19-9-5-16(25)11-18(19)26)24-28-22(29-34-24)14-2-6-17(7-3-14)27-23(30)15-4-8-20-21(10-15)32-12-31-20/h2-11,13H,12H2,1H3,(H,27,30)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39712
PNG
(MLS000568198 | N-(5-chloranyl-2-methoxy-phenyl)-2-...)
Show SMILES COc1ccc(Cl)cc1NC(=O)C(C)N1CCN(C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C23H28ClN3O2/c1-18(23(28)25-21-17-20(24)10-11-22(21)29-2)27-15-13-26(14-16-27)12-6-9-19-7-4-3-5-8-19/h3-11,17-18H,12-16H2,1-2H3,(H,25,28)/b9-6+
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39730
PNG
(2-(1-naphthalenyl)-N-[2,2,2-trichloro-1-[[(2,5-dim...)
Show SMILES Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
Show InChI InChI=1S/C23H22Cl3N3OS/c1-14-10-11-15(2)19(12-14)27-22(31)29-21(23(24,25)26)28-20(30)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,21H,13H2,1-2H3,(H,28,30)(H2,27,29,31)
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n/an/an/an/a 6.31E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39734
PNG
(2-(3-chlorophenyl)-5-methyl-N-phenyl-3-pyrazolamin...)
Show SMILES Cc1cc(Nc2ccccc2)n(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClN3/c1-12-10-16(18-14-7-3-2-4-8-14)20(19-12)15-9-5-6-13(17)11-15/h2-11,18H,1H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39739
PNG
(3-[2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopen...)
Show SMILES Brc1ccc2=NC(=O)C(NN=CC3=C(N4CCOCC4)C(CC3)=Cc3ccccc3)=c2c1 |w:10.9,23.25,c:12,32,t:4|
Show InChI InChI=1S/C25H23BrN4O2/c26-20-8-9-22-21(15-20)23(25(31)28-22)29-27-16-19-7-6-18(14-17-4-2-1-3-5-17)24(19)30-10-12-32-13-11-30/h1-5,8-9,14-16H,6-7,10-13H2,(H,28,29,31)
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n/an/an/an/a 3.84E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39742
PNG
((2Z)-2-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-...)
Show SMILES COc1cc(C=c2[nH]c3=CCCCCn3c2=O)ccc1O |w:5.4,t:8|
Show InChI InChI=1S/C16H18N2O3/c1-21-14-10-11(6-7-13(14)19)9-12-16(20)18-8-4-2-3-5-15(18)17-12/h5-7,9-10,17,19H,2-4,8H2,1H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39749
PNG
(MLS000538088 | N-(3,5-dichlorophenyl)-3-(difluorom...)
Show SMILES FC(F)Oc1cccc(c1)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H9Cl2F2NO2/c15-9-5-10(16)7-11(6-9)19-13(20)8-2-1-3-12(4-8)21-14(17)18/h1-7,14H,(H,19,20)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		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 |w:7.7|
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 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM34717
PNG
(2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3,3-trimethyl...)
Show SMILES COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(O)cc1)=[N+]2C |c:24|
Show InChI InChI=1S/C21H21NO3/c1-21(2)17-13-15(20(24)25-4)8-11-18(17)22(3)19(21)12-7-14-5-9-16(23)10-6-14/h5-13H,1-4H3/p+1
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		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

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39780
PNG
(1-Methyl-4-[2-(2-methyl-1H-indol-3-yl)-vinyl]-pyri...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C\c1cc[n+](C)cc1
Show InChI InChI=1S/C17H16N2/c1-13-15(16-5-3-4-6-17(16)18-13)8-7-14-9-11-19(2)12-10-14/h3-12H,1-2H3/p+1
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39781
PNG
(2H-Chromene-3-carboxylic acid [2,5-diethoxy-4-(2-m...)
Show SMILES CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)C1=Cc2ccccc2OC1 |t:27|
Show InChI InChI=1S/C28H28N2O5/c1-4-33-25-16-23(30-28(32)21-12-8-6-10-18(21)3)26(34-5-2)15-22(25)29-27(31)20-14-19-11-7-9-13-24(19)35-17-20/h6-16H,4-5,17H2,1-3H3,(H,29,31)(H,30,32)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39789
PNG
((Z)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cy...)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1O
Show InChI InChI=1S/C18H15BrN2O4/c1-2-25-16-9-11(8-15(19)17(16)23)7-12(10-20)18(24)21-13-3-5-14(22)6-4-13/h3-9,22-23H,2H2,1H3,(H,21,24)/b12-7-
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39574
PNG
(2-(4-Furan-2-ylmethyl-5-phenoxymethyl-4H-[1,2,4]tr...)
Show SMILES Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)no1
Show InChI InChI=1S/C20H19N5O4S/c1-14-10-17(24-29-14)21-19(26)13-30-20-23-22-18(12-28-15-6-3-2-4-7-15)25(20)11-16-8-5-9-27-16/h2-10H,11-13H2,1H3,(H,21,24,26)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM34274
PNG
(1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
Show InChI InChI=1S/C20H19N3O4S/c1-3-10-23-19(14-6-4-5-7-18(14)27-2)21-22-20(23)28-12-17(26)13-8-9-15(24)16(25)11-13/h3-9,11,24-25H,1,10,12H2,2H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39599
PNG
(MLS000056730 | N-(2-keto-4-methyl-chromen-7-yl)-2,...)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12
Show InChI InChI=1S/C19H15NO5/c1-11-8-18(21)25-16-9-12(6-7-13(11)16)20-19(22)17-10-23-14-4-2-3-5-15(14)24-17/h2-9,17H,10H2,1H3,(H,20,22)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39606
PNG
(2,4-dimethyl-5-[1-oxo-2-[[5-(2-phenylpropyl)-1,3,4...)
Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CC(C)c3ccccc3)o2)c1C
Show InChI InChI=1S/C22H25N3O4S/c1-5-28-21(27)19-14(3)20(23-15(19)4)17(26)12-30-22-25-24-18(29-22)11-13(2)16-9-7-6-8-10-16/h6-10,13,23H,5,11-12H2,1-4H3
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n/an/an/an/a 7.85E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39608
PNG
(1,3-benzodioxol-5-yl-(1-propyl-2-benzimidazolyl)me...)
Show SMILES CCCn1c(nc2ccccc12)C(O)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H18N2O3/c1-2-9-20-14-6-4-3-5-13(14)19-18(20)17(21)12-7-8-15-16(10-12)23-11-22-15/h3-8,10,17,21H,2,9,11H2,1H3
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n/an/an/an/a 1.77E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39612
PNG
(2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C16H12N2O4S/c19-12-6-5-9(7-13(12)20)14(21)8-23-16-17-11-4-2-1-3-10(11)15(22)18-16/h1-7,19-20H,8H2,(H,17,18,22)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39622
PNG
(MLS000089121 | S-{4-[4-(dimethylamino)benzylidene]...)
Show SMILES CCOC(=O)SC1=N\C(=C/c2ccc(cc2)N(C)C)C(=O)S1 |t:6|
Show InChI InChI=1S/C15H16N2O3S2/c1-4-20-15(19)22-14-16-12(13(18)21-14)9-10-5-7-11(8-6-10)17(2)3/h5-9H,4H2,1-3H3/b12-9-
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM50237956
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-(4-methoxyphenyl)-1H-...)
Show SMILES COc1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-3-11(4-6-12)20-16(17-18-19-20)25-9-15(23)10-2-7-13(21)14(22)8-10/h2-8,21-22H,9H2,1H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39627
PNG
(1-(3-chloranyl-2-methyl-phenyl)-3-cyclohexyl-urea ...)
Show SMILES Cc1c(Cl)cccc1NC(=O)NC1CCCCC1
Show InChI InChI=1S/C14H19ClN2O/c1-10-12(15)8-5-9-13(10)17-14(18)16-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H2,16,17,18)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39630
PNG
(3-(5-bromo-2-furanyl)-5-[(2,4-difluorophenoxy)meth...)
Show SMILES Fc1ccc(OCc2nc(no2)-c2ccc(Br)o2)c(F)c1
Show InChI InChI=1S/C13H7BrF2N2O3/c14-11-4-3-10(20-11)13-17-12(21-18-13)6-19-9-2-1-7(15)5-8(9)16/h1-5H,6H2
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39634
PNG
(4-fluoranyl-N-[2-(4-methylphenyl)sulfanylethyl]ben...)
Show SMILES Cc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H16FNO2S2/c1-12-2-6-14(7-3-12)20-11-10-17-21(18,19)15-8-4-13(16)5-9-15/h2-9,17H,10-11H2,1H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39645
PNG
(2-(5-Phenyl-2H-[1,2,4]triazol-3-yl)-3a,4,7,7a-tetr...)
Show SMILES Oc1c2CC=CCc2c(O)n1-c1nnc([nH]1)-c1ccccc1 |c:4|
Show InChI InChI=1S/C16H14N4O2/c21-14-11-8-4-5-9-12(11)15(22)20(14)16-17-13(18-19-16)10-6-2-1-3-7-10/h1-7,21-22H,8-9H2,(H,17,18,19)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39648
PNG
(MLS000538580 | N-(4-methylphenyl)-2-(2-{[(1,1,3,3-...)
Show SMILES Cc1ccc(NC(=O)COc2ccccc2CNC(C)(C)CC(C)(C)C)cc1
Show InChI InChI=1S/C24H34N2O2/c1-18-11-13-20(14-12-18)26-22(27)16-28-21-10-8-7-9-19(21)15-25-24(5,6)17-23(2,3)4/h7-14,25H,15-17H2,1-6H3,(H,26,27)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39659
PNG
((2,4-dimethylphenyl)(4-nitrophenyl)methanone | (2,...)
Show SMILES Cc1ccc(C(=O)c2ccc(cc2)[N+]([O-])=O)c(C)c1
Show InChI InChI=1S/C15H13NO3/c1-10-3-8-14(11(2)9-10)15(17)12-4-6-13(7-5-12)16(18)19/h3-9H,1-2H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39666
PNG
(2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)ac...)
Show SMILES Cc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H16FNO/c1-15-2-4-16(5-3-15)21(14-24)17-6-8-18(9-7-17)22(25)19-10-12-20(23)13-11-19/h2-13,21H,1H3
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39672
PNG
(MLS000520606 | N-[(3-methoxyphenyl)methyl]-2-[(1-p...)
Show SMILES COc1cccc(CNC(=O)CSCc2cnn(c2-n2cccc2)-c2ccccc2)c1
Show InChI InChI=1S/C24H24N4O2S/c1-30-22-11-7-8-19(14-22)15-25-23(29)18-31-17-20-16-26-28(21-9-3-2-4-10-21)24(20)27-12-5-6-13-27/h2-14,16H,15,17-18H2,1H3,(H,25,29)
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))		BDBM39687
PNG
((2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19|
Show InChI InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1
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n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%