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3 similar compounds to monomer 34592

Compile data set for download or QSAR
Wt: 473.5
BDBM34699
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Wt: 381.4
BDBM34701
Wt: 471.5
BDBM72017
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 34699,34701,72017   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MPI protein


(Homo sapiens (Human))
BDBM34699
PNG
(3-(1-adamantyl)-5,6-bis(azanyl)-2-oxidanylidene-8-...)
Show SMILES Nc1nc2N(C(=O)Cc2c2c(C#N)c(nc(N)c12)N1CCCC(O)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C26H31N7O2/c27-11-18-20-17-7-19(35)33(26-8-13-4-14(9-26)6-15(5-13)10-26)25(17)31-23(29)21(20)22(28)30-24(18)32-3-1-2-16(34)12-32/h13-16,34H,1-10,12H2,(H2,28,30)(H2,29,31)
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n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM34701
PNG
(5,6-bis(azanyl)-3-cyclopentyl-8-[2-hydroxyethyl(me...)
Show SMILES CN(CCO)c1nc(N)c2c(N)nc3N(C4CCCC4)C(=O)Cc3c2c1C#N
Show InChI InChI=1S/C19H23N7O2/c1-25(6-7-27)18-12(9-20)14-11-8-13(28)26(10-4-2-3-5-10)19(11)24-17(22)15(14)16(21)23-18/h10,27H,2-8H2,1H3,(H2,21,23)(H2,22,24)
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n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM34701
PNG
(5,6-bis(azanyl)-3-cyclopentyl-8-[2-hydroxyethyl(me...)
Show SMILES CN(CCO)c1nc(N)c2c(N)nc3N(C4CCCC4)C(=O)Cc3c2c1C#N
Show InChI InChI=1S/C19H23N7O2/c1-25(6-7-27)18-12(9-20)14-11-8-13(28)26(10-4-2-3-5-10)19(11)24-17(22)15(14)16(21)23-18/h10,27H,2-8H2,1H3,(H2,21,23)(H2,22,24)
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n/an/a 9.36E+3n/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: Michael McNeil, Colorado State Universi...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TD9VRT
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM34699
PNG
(3-(1-adamantyl)-5,6-bis(azanyl)-2-oxidanylidene-8-...)
Show SMILES Nc1nc2N(C(=O)Cc2c2c(C#N)c(nc(N)c12)N1CCCC(O)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C26H31N7O2/c27-11-18-20-17-7-19(35)33(26-8-13-4-14(9-26)6-15(5-13)10-26)25(17)31-23(29)21(20)22(28)30-24(18)32-3-1-2-16(34)12-32/h13-16,34H,1-10,12H2,(H2,28,30)(H2,29,31)
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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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
BZLF1


(Human herpesvirus 4)
BDBM34699
PNG
(3-(1-adamantyl)-5,6-bis(azanyl)-2-oxidanylidene-8-...)
Show SMILES Nc1nc2N(C(=O)Cc2c2c(C#N)c(nc(N)c12)N1CCCC(O)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C26H31N7O2/c27-11-18-20-17-7-19(35)33(26-8-13-4-14(9-26)6-15(5-13)10-26)25(17)31-23(29)21(20)22(28)30-24(18)32-3-1-2-16(34)12-32/h13-16,34H,1-10,12H2,(H2,28,30)(H2,29,31)
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n/an/a 2.95E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM72017
PNG
(3-(1-adamantyl)-5,6-bis(azanyl)-8-[ethyl(2-methylp...)
Show SMILES CCN(CC(C)=C)c1nc(N)c2c(N)nc3N(C(=O)Cc3c2c1C#N)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C27H33N7O/c1-4-33(13-14(2)3)25-19(12-28)21-18-8-20(35)34(26(18)32-24(30)22(21)23(29)31-25)27-9-15-5-16(10-27)7-17(6-15)11-27/h15-17H,2,4-11,13H2,1,3H3,(H2,29,31)(H2,30,32)
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n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM34699
PNG
(3-(1-adamantyl)-5,6-bis(azanyl)-2-oxidanylidene-8-...)
Show SMILES Nc1nc2N(C(=O)Cc2c2c(C#N)c(nc(N)c12)N1CCCC(O)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C26H31N7O2/c27-11-18-20-17-7-19(35)33(26-8-13-4-14(9-26)6-15(5-13)10-26)25(17)31-23(29)21(20)22(28)30-24(18)32-3-1-2-16(34)12-32/h13-16,34H,1-10,12H2,(H2,28,30)(H2,29,31)
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n/an/a 7.30E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM34699
PNG
(3-(1-adamantyl)-5,6-bis(azanyl)-2-oxidanylidene-8-...)
Show SMILES Nc1nc2N(C(=O)Cc2c2c(C#N)c(nc(N)c12)N1CCCC(O)C1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C26H31N7O2/c27-11-18-20-17-7-19(35)33(26-8-13-4-14(9-26)6-15(5-13)10-26)25(17)31-23(29)21(20)22(28)30-24(18)32-3-1-2-16(34)12-32/h13-16,34H,1-10,12H2,(H2,28,30)(H2,29,31)
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n/an/a>6.70E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair