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8 similar compounds to monomer 31081

Compile data set for download or QSAR
Wt: 347.3
BDBM37226
Wt: 329.3
BDBM66044
Wt: 269.2
BDBM65805
Wt: 287.2
BDBM65802
Wt: 303.7
BDBM65803
Wt: 283.3
BDBM65806
Wt: 327.3
BDBM65807
Wt: 283.3
BDBM65808

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 37226,66044,65805,65802,65803,65806,65807,65808   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37226
PNG
(7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16,23-25H,12H2
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n/an/an/an/a 6.82E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM37226
PNG
(7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16,23-25H,12H2
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n/an/a>6.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QJ7FTF
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37226
PNG
(7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16,23-25H,12H2
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n/an/an/an/a 5.47E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65802
PNG
(2-(4-fluorophenyl)-4,7-dimethyl-3a,7a-dihydro-octa...)
Show SMILES CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO3/c1-15-7-8-16(2,21-15)12-11(15)13(19)18(14(12)20)10-5-3-9(17)4-6-10/h3-8,19-20H,1-2H3
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n/an/a 1.07E+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/Q21V5CDC
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65803
PNG
(2-(4-chlorophenyl)-4,7-dimethyl-3a,7a-dihydro-octa...)
Show SMILES CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClNO3/c1-15-7-8-16(2,21-15)12-11(15)13(19)18(14(12)20)10-5-3-9(17)4-6-10/h3-8,19-20H,1-2H3
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n/an/a>5.68E+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/Q21V5CDC
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65805
PNG
(4,7-dimethyl-2-phenyl-3a,7a-dihydro-octahydro-1H-4...)
Show SMILES CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1
Show InChI InChI=1S/C16H15NO3/c1-15-8-9-16(2,20-15)12-11(15)13(18)17(14(12)19)10-6-4-3-5-7-10/h3-9,18-19H,1-2H3
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n/an/a 1.17E+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/Q21V5CDC
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65806
PNG
(4,7-dimethyl-2-(4-methylphenyl)-3a,7a-dihydro-octa...)
Show SMILES Cc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1
Show InChI InChI=1S/C17H17NO3/c1-10-4-6-11(7-5-10)18-14(19)12-13(15(18)20)17(3)9-8-16(12,2)21-17/h4-9,19-20H,1-3H3
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n/an/a 1.15E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21V5CDC
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65807
PNG
(4,7-dimethyl-2-(4-propoxyphenyl)-3a,7a-dihydro-oct...)
Show SMILES CCCOc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1
Show InChI InChI=1S/C19H21NO4/c1-4-11-23-13-7-5-12(6-8-13)20-16(21)14-15(17(20)22)19(3)10-9-18(14,2)24-19/h5-10,21-22H,4,11H2,1-3H3
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n/an/a 9.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21V5CDC
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65808
PNG
(4,7-dimethyl-2-(3-methylphenyl)-3a,7a-dihydro-octa...)
Show SMILES Cc1cccc(c1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1
Show InChI InChI=1S/C17H17NO3/c1-10-5-4-6-11(9-10)18-14(19)12-13(15(18)20)17(3)8-7-16(12,2)21-17/h4-9,19-20H,1-3H3
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n/an/a 2.76E+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/Q21V5CDC
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM66044
PNG
(4-[1-(hydroxymethyl)-3,5-dioxo-10-oxa-4-azatricycl...)
Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2C3OC(CO)(C=C3)c2c1O
Show InChI InChI=1S/C17H15NO6/c1-9(20)23-11-4-2-10(3-5-11)18-15(21)13-12-6-7-17(8-19,24-12)14(13)16(18)22/h2-7,12,19,21-22H,8H2,1H3
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n/an/an/an/a>3.30E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65802
PNG
(2-(4-fluorophenyl)-4,7-dimethyl-3a,7a-dihydro-octa...)
Show SMILES CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO3/c1-15-7-8-16(2,21-15)12-11(15)13(19)18(14(12)20)10-5-3-9(17)4-6-10/h3-8,19-20H,1-2H3
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n/an/a 8.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2668BMS
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65803
PNG
(2-(4-chlorophenyl)-4,7-dimethyl-3a,7a-dihydro-octa...)
Show SMILES CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClNO3/c1-15-7-8-16(2,21-15)12-11(15)13(19)18(14(12)20)10-5-3-9(17)4-6-10/h3-8,19-20H,1-2H3
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n/an/a>5.68E+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/Q2668BMS
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65805
PNG
(4,7-dimethyl-2-phenyl-3a,7a-dihydro-octahydro-1H-4...)
Show SMILES CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1
Show InChI InChI=1S/C16H15NO3/c1-15-8-9-16(2,20-15)12-11(15)13(18)17(14(12)19)10-6-4-3-5-7-10/h3-9,18-19H,1-2H3
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n/an/a 1.05E+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/Q2668BMS
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65806
PNG
(4,7-dimethyl-2-(4-methylphenyl)-3a,7a-dihydro-octa...)
Show SMILES Cc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1
Show InChI InChI=1S/C17H17NO3/c1-10-4-6-11(7-5-10)18-14(19)12-13(15(18)20)17(3)9-8-16(12,2)21-17/h4-9,19-20H,1-3H3
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n/an/a>5.68E+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/Q2668BMS
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65807
PNG
(4,7-dimethyl-2-(4-propoxyphenyl)-3a,7a-dihydro-oct...)
Show SMILES CCCOc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1
Show InChI InChI=1S/C19H21NO4/c1-4-11-23-13-7-5-12(6-8-13)20-16(21)14-15(17(20)22)19(3)10-9-18(14,2)24-19/h5-10,21-22H,4,11H2,1-3H3
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n/an/a>5.68E+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/Q2668BMS
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM65808
PNG
(4,7-dimethyl-2-(3-methylphenyl)-3a,7a-dihydro-octa...)
Show SMILES Cc1cccc(c1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1
Show InChI InChI=1S/C17H17NO3/c1-10-5-4-6-11(9-10)18-14(19)12-13(15(18)20)17(3)8-7-16(12,2)21-17/h4-9,19-20H,1-3H3
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n/an/a 8.93E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2668BMS
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM37226
PNG
(7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16,23-25H,12H2
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n/an/a 4.92E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)


(Saccharomyces cerevisiae S288c)
BDBM37226
PNG
(7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16,23-25H,12H2
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n/an/a 1.83E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26D5RGW
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM37226
PNG
(7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16,23-25H,12H2
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n/an/a 1.14E+4n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM37226
PNG
(7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16,23-25H,12H2
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n/an/a>1.00E+5n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM37226
PNG
(7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16,23-25H,12H2
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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n/an/a>6.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2B856NC
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37226
PNG
(7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16,23-25H,12H2
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n/an/an/an/a 2.26E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair