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14 similar compounds to monomer 75625

Compile data set for download or QSAR
Wt: 371.3
BDBM43790
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Wt: 399.4
BDBM43791
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Wt: 426.5
BDBM43792
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Wt: 383.4
BDBM52445
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Wt: 385.4
BDBM52663
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Wt: 395.4
BDBM53236
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Wt: 453.4
BDBM53237
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Wt: 381.4
BDBM56688
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Wt: 433.4
BDBM59323
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Wt: 461.5
BDBM75626
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Wt: 501.5
BDBM75661
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Wt: 447.4
BDBM79853
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Wt: 431.4
BDBM79854
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Wt: 415.4
BDBM79882
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 49 hits for monomerid = 43790,43791,43792,52445,52663,53236,53237,56688,59323,75626,75661,79853,79854,79882   
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, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM79882
PNG
(4-oxidanylidene-4-[2-(2-phenyl-[1,2,4]triazolo[1,5...)
Show SMILES C=CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C22H21N7O2/c1-2-14-23-18(30)12-13-19(31)26-27-22-24-17-11-7-6-10-16(17)21-25-20(28-29(21)22)15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,23,30)(H,24,27)(H,26,31)
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n/an/a 6.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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 placental-like


(Homo sapiens (Human))
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/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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
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/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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
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/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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
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 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM53237
PNG
(1-[4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C22H27N7O4/c1-3-33-21(32)15-10-12-28(13-11-15)19(31)9-8-18(30)25-26-22-24-17-7-5-4-6-16(17)20-23-14(2)27-29(20)22/h4-7,15H,3,8-13H2,1-2H3,(H,24,26)(H,25,30)
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n/an/an/an/a 5.39E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
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 2.10E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53237
PNG
(1-[4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C22H27N7O4/c1-3-33-21(32)15-10-12-28(13-11-15)19(31)9-8-18(30)25-26-22-24-17-7-5-4-6-16(17)20-23-14(2)27-29(20)22/h4-7,15H,3,8-13H2,1-2H3,(H,24,26)(H,25,30)
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n/an/an/an/a 1.41E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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 3.89E+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 (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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 4.44E+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 (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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 4.02E+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 (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM52445
PNG
(MLS000582493 | N-butyl-4-keto-N-methyl-4-[N'-(2-me...)
Show SMILES CCCCN(C)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C19H25N7O2/c1-4-5-12-25(3)17(28)11-10-16(27)22-23-19-21-15-9-7-6-8-14(15)18-20-13(2)24-26(18)19/h6-9H,4-5,10-12H2,1-3H3,(H,21,23)(H,22,27)
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52445
PNG
(MLS000582493 | N-butyl-4-keto-N-methyl-4-[N'-(2-me...)
Show SMILES CCCCN(C)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C19H25N7O2/c1-4-5-12-25(3)17(28)11-10-16(27)22-23-19-21-15-9-7-6-8-14(15)18-20-13(2)24-26(18)19/h6-9H,4-5,10-12H2,1-3H3,(H,21,23)(H,22,27)
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n/an/an/an/a 5.37E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
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 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
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 1.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
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 1.18E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM52663
PNG
(4-keto-N-(3-methoxypropyl)-4-[N'-(2-methyl-[1,2,4]...)
Show SMILES COCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C18H23N7O3/c1-12-20-17-13-6-3-4-7-14(13)21-18(25(17)24-12)23-22-16(27)9-8-15(26)19-10-5-11-28-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,19,26)(H,21,23)(H,22,27)
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
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 1.45E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
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 930n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
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 1.21E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52663
PNG
(4-keto-N-(3-methoxypropyl)-4-[N'-(2-methyl-[1,2,4]...)
Show SMILES COCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C18H23N7O3/c1-12-20-17-13-6-3-4-7-14(13)21-18(25(17)24-12)23-22-16(27)9-8-15(26)19-10-5-11-28-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,19,26)(H,21,23)(H,22,27)
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n/an/an/an/a 1.13E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM56688
PNG
(MLS000731305 | N-cyclopentyl-4-[(2-methyl-[1,2,4]t...)
Show SMILES Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NC3CCCC3)n2n1
Show InChI InChI=1S/C19H23N7O2/c1-12-20-18-14-8-4-5-9-15(14)22-19(26(18)25-12)24-23-17(28)11-10-16(27)21-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,21,27)(H,22,24)(H,23,28)
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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 1.91E+4n/an/an/an/a



Sanford-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 (2009)


BindingDB Entry DOI: 10.7270/Q2N58JTN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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 3.97E+4n/an/an/an/a



Sanford-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 (2009)


BindingDB Entry DOI: 10.7270/Q2N58JTN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM59323
PNG
(4-keto-N-(2-methoxyethyl)-4-[N'-(2-phenyl-[1,2,4]t...)
Show SMILES COCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C22H23N7O3/c1-32-14-13-23-18(30)11-12-19(31)26-27-22-24-17-10-6-5-9-16(17)21-25-20(28-29(21)22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,23,30)(H,24,27)(H,26,31)
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n/an/an/an/a 8.20E+4n/an/an/an/a



Sanford-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 (2009)


BindingDB Entry DOI: 10.7270/Q2N58JTN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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 3.78E+4n/an/an/an/a



Sanford-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 (2009)


BindingDB Entry DOI: 10.7270/Q2N58JTN
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75661
PNG
(4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...)
Show SMILES Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
Show InChI InChI=1S/C26H31N9O2/c1-19-28-25-21-9-5-6-10-22(21)29-26(35(25)32-19)31-30-24(37)12-11-23(36)27-13-14-33-15-17-34(18-16-33)20-7-3-2-4-8-20/h2-10H,11-18H2,1H3,(H,27,36)(H,29,31)(H,30,37)
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n/an/an/an/a 8.73E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM53236
PNG
(4-(3-methyl-1-piperidinyl)-N'-(2-methyl-[1,2,4]tri...)
Show SMILES CC1CCCN(C1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C20H25N7O2/c1-13-6-5-11-26(12-13)18(29)10-9-17(28)23-24-20-22-16-8-4-3-7-15(16)19-21-14(2)25-27(19)20/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,22,24)(H,23,28)
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n/an/an/an/a 8.07E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


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


(Homo sapiens (Human))
BDBM75661
PNG
(4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...)
Show SMILES Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
Show InChI InChI=1S/C26H31N9O2/c1-19-28-25-21-9-5-6-10-22(21)29-26(35(25)32-19)31-30-24(37)12-11-23(36)27-13-14-33-15-17-34(18-16-33)20-7-3-2-4-8-20/h2-10H,11-18H2,1H3,(H,27,36)(H,29,31)(H,30,37)
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n/an/an/an/a 1.37E+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/Q2CF9NKD
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
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 1.07E+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/Q2CF9NKD
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75626
PNG
(MLS000582497 | N-(3-ethoxypropyl)-4-keto-4-[N'-(2-...)
Show SMILES CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-34-16-8-15-25-20(32)13-14-21(33)28-29-24-26-19-12-7-6-11-18(19)23-27-22(30-31(23)24)17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,25,32)(H,26,29)(H,28,33)
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n/an/a 2.96E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75661
PNG
(4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...)
Show SMILES Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
Show InChI InChI=1S/C26H31N9O2/c1-19-28-25-21-9-5-6-10-22(21)29-26(35(25)32-19)31-30-24(37)12-11-23(36)27-13-14-33-15-17-34(18-16-33)20-7-3-2-4-8-20/h2-10H,11-18H2,1H3,(H,27,36)(H,29,31)(H,30,37)
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n/an/a 4.98E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
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/a 6.42E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM75626
PNG
(MLS000582497 | N-(3-ethoxypropyl)-4-keto-4-[N'-(2-...)
Show SMILES CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-34-16-8-15-25-20(32)13-14-21(33)28-29-24-26-19-12-7-6-11-18(19)23-27-22(30-31(23)24)17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,25,32)(H,26,29)(H,28,33)
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n/an/an/an/a 1.77E+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/Q24Q7SF3
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM75661
PNG
(4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...)
Show SMILES Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
Show InChI InChI=1S/C26H31N9O2/c1-19-28-25-21-9-5-6-10-22(21)29-26(35(25)32-19)31-30-24(37)12-11-23(36)27-13-14-33-15-17-34(18-16-33)20-7-3-2-4-8-20/h2-10H,11-18H2,1H3,(H,27,36)(H,29,31)(H,30,37)
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n/an/an/an/a 1.41E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24Q7SF3
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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 1.22E+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/Q24Q7SF3
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75626
PNG
(MLS000582497 | N-(3-ethoxypropyl)-4-keto-4-[N'-(2-...)
Show SMILES CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-34-16-8-15-25-20(32)13-14-21(33)28-29-24-26-19-12-7-6-11-18(19)23-27-22(30-31(23)24)17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,25,32)(H,26,29)(H,28,33)
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n/an/an/an/a 1.91E+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/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75661
PNG
(4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...)
Show SMILES Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
Show InChI InChI=1S/C26H31N9O2/c1-19-28-25-21-9-5-6-10-22(21)29-26(35(25)32-19)31-30-24(37)12-11-23(36)27-13-14-33-15-17-34(18-16-33)20-7-3-2-4-8-20/h2-10H,11-18H2,1H3,(H,27,36)(H,29,31)(H,30,37)
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n/an/an/an/a 1.53E+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/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
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

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/Q20Z71R6
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75626
PNG
(MLS000582497 | N-(3-ethoxypropyl)-4-keto-4-[N'-(2-...)
Show SMILES CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-34-16-8-15-25-20(32)13-14-21(33)28-29-24-26-19-12-7-6-11-18(19)23-27-22(30-31(23)24)17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,25,32)(H,26,29)(H,28,33)
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n/an/an/an/a 1.52E+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/Q2CF9NKD
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM79853
PNG
(4-keto-N-(3-methoxypropyl)-4-[N'-(2-phenyl-[1,2,4]...)
Show SMILES COCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C23H25N7O3/c1-33-15-7-14-24-19(31)12-13-20(32)27-28-23-25-18-11-6-5-10-17(18)22-26-21(29-30(22)23)16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,24,31)(H,25,28)(H,27,32)
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n/an/a 3.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM79854
PNG
(MLS000582494 | N-butyl-4-keto-4-[N'-(2-phenyl-[1,2...)
Show SMILES CCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C23H25N7O2/c1-2-3-15-24-19(31)13-14-20(32)27-28-23-25-18-12-8-7-11-17(18)22-26-21(29-30(22)23)16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,24,31)(H,25,28)(H,27,32)
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n/an/a 2.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM79882
PNG
(4-oxidanylidene-4-[2-(2-phenyl-[1,2,4]triazolo[1,5...)
Show SMILES C=CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C22H21N7O2/c1-2-14-23-18(30)12-13-19(31)26-27-22-24-17-11-7-6-10-16(17)21-25-20(28-29(21)22)15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,23,30)(H,24,27)(H,26,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM79853
PNG
(4-keto-N-(3-methoxypropyl)-4-[N'-(2-phenyl-[1,2,4]...)
Show SMILES COCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C23H25N7O3/c1-33-15-7-14-24-19(31)12-13-20(32)27-28-23-25-18-11-6-5-10-17(18)22-26-21(29-30(22)23)16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,24,31)(H,25,28)(H,27,32)
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n/an/a 1.17E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM79854
PNG
(MLS000582494 | N-butyl-4-keto-4-[N'-(2-phenyl-[1,2...)
Show SMILES CCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C23H25N7O2/c1-2-3-15-24-19(31)13-14-20(32)27-28-23-25-18-12-8-7-11-17(18)22-26-21(29-30(22)23)16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,24,31)(H,25,28)(H,27,32)
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n/an/a 7.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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