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8 similar compounds to monomer 108945

Compile data set for download or QSAR
Wt: 678.2
BDBM108809
Wt: 607.1
BDBM108859
Wt: 587.4
BDBM108866
Wt: 571.4
BDBM108868
Wt: 724.0
BDBM108869
Wt: 537.0
BDBM108739
Wt: 643.7
BDBM108754
Wt: 471.5
BDBM108944

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 108809,108859,108866,108868,108869,108739,108754,108944   
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
Glutaminase 1


(Homo sapiens (human))
BDBM108739
PNG
(US8604016, 318)
Show SMILES OC(C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H25ClN6O3S/c27-19-10-6-9-18(16-19)24(35)25(36)29-26-33-32-23(37-26)12-5-4-11-20-13-14-21(31-30-20)28-22(34)15-17-7-2-1-3-8-17/h1-3,6-10,13-14,16,24,35H,4-5,11-12,15H2,(H,28,31,34)(H,29,33,36)
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n/an/a 6n/an/an/an/an/an/a



Calithera Biosciences Inc.

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase 1


(Homo sapiens (human))
BDBM108809
PNG
(US8604016, 389)
Show SMILES Clc1cccc(c1)C(OC(=O)CCN1CCOCC1)C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1
Show InChI InChI=1S/C33H36ClN7O5S/c34-25-10-6-9-24(22-25)31(46-30(43)15-16-41-17-19-45-20-18-41)32(44)36-33-40-39-29(47-33)12-5-4-11-26-13-14-27(38-37-26)35-28(42)21-23-7-2-1-3-8-23/h1-3,6-10,13-14,22,31H,4-5,11-12,15-21H2,(H,35,38,42)(H,36,40,44)
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n/an/a 84n/an/an/an/an/an/a



Calithera Biosciences Inc.

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase 1


(Homo sapiens (human))
BDBM108859
PNG
(US8604016, 439)
Show SMILES CCCC(=O)OC(C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1cccc(Cl)c1
Show InChI InChI=1S/C30H31ClN6O4S/c1-2-9-27(39)41-28(21-12-8-13-22(31)19-21)29(40)33-30-37-36-26(42-30)15-7-6-14-23-16-17-24(35-34-23)32-25(38)18-20-10-4-3-5-11-20/h3-5,8,10-13,16-17,19,28H,2,6-7,9,14-15,18H2,1H3,(H,32,35,38)(H,33,37,40)
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n/an/a 250n/an/an/an/an/an/a



Calithera Biosciences Inc.

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase 1


(Homo sapiens (human))
BDBM108866
PNG
(US8604016, 446)
Show SMILES OC(C(=O)Nc1nnc(CCCCc2ccc(NC(=O)C(O)c3cccc(Cl)c3)nn2)s1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H24Cl2N6O4S/c27-17-7-3-5-15(13-17)22(35)24(37)29-20-12-11-19(31-32-20)9-1-2-10-21-33-34-26(39-21)30-25(38)23(36)16-6-4-8-18(28)14-16/h3-8,11-14,22-23,35-36H,1-2,9-10H2,(H,29,32,37)(H,30,34,38)
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Calithera Biosciences Inc.

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
HIF-PH2


(Homo sapiens (Human))
BDBM108944
PNG
(US9695170 114)
Show SMILES CC(NC(=O)c1ncc2n(Cc3ccccc3)c(=O)c(cc2c1O):c1ccccc1)C(C)C(O)=O
Show InChI InChI=1S/C27H25N3O5/c1-16(27(34)35)17(2)29-25(32)23-24(31)21-13-20(19-11-7-4-8-12-19)26(33)30(22(21)14-28-23)15-18-9-5-3-6-10-18/h3-14,16-17,31H,15H2,1-2H3,(H,29,32)(H,34,35)
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KEGG

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n/an/a 9.10E+4n/an/an/an/a7.4n/a



FibroGen, Inc.

US Patent


Assay Description
Ketoglutaric acid α-[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide may be obtained from commercial sources...


US Patent US9695170 (2017)


BindingDB Entry DOI: 10.7270/Q2P55KN0
More data for this
Ligand-Target Pair
Glutaminase 1


(Homo sapiens (human))
BDBM108869
PNG
(US8604016, 449)
Show SMILES Clc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)C(OC(=O)Cc4cccc(Cl)c4)c4cccc(Cl)c4)s3)nn2)c1
Show InChI InChI=1S/C34H29Cl3N6O4S/c35-24-9-3-6-21(16-24)18-29(44)38-28-15-14-27(40-41-28)12-1-2-13-30-42-43-34(48-30)39-33(46)32(23-8-5-11-26(37)20-23)47-31(45)19-22-7-4-10-25(36)17-22/h3-11,14-17,20,32H,1-2,12-13,18-19H2,(H,38,41,44)(H,39,43,46)
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n/an/a 11n/an/an/an/an/an/a



Calithera Biosciences Inc.

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase 1


(Homo sapiens (human))
BDBM108739
PNG
(US8604016, 318)
Show SMILES OC(C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H25ClN6O3S/c27-19-10-6-9-18(16-19)24(35)25(36)29-26-33-32-23(37-26)12-5-4-11-20-13-14-21(31-30-20)28-22(34)15-17-7-2-1-3-8-17/h1-3,6-10,13-14,16,24,35H,4-5,11-12,15H2,(H,28,31,34)(H,29,33,36)
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n/an/a 180n/an/an/an/an/an/a



Calithera Biosciences Inc.

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase 1


(Homo sapiens (human))
BDBM108754
PNG
(US8604016, 334)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)C(OC(=O)CCN3CCOCC3)c3ccccc3)s2)nn1
Show InChI InChI=1S/C33H37N7O5S/c41-28(23-24-9-3-1-4-10-24)34-27-16-15-26(36-37-27)13-7-8-14-29-38-39-33(46-29)35-32(43)31(25-11-5-2-6-12-25)45-30(42)17-18-40-19-21-44-22-20-40/h1-6,9-12,15-16,31H,7-8,13-14,17-23H2,(H,34,37,41)(H,35,39,43)
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n/an/a 640n/an/an/an/an/an/a



Calithera Biosciences Inc.

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair
Glutaminase 1


(Homo sapiens (human))
BDBM108868
PNG
(US8604016, 448)
Show SMILES OC(C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(Cl)c3)nn2)s1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H24Cl2N6O3S/c27-18-7-3-5-16(13-18)14-22(35)29-21-12-11-20(31-32-21)9-1-2-10-23-33-34-26(38-23)30-25(37)24(36)17-6-4-8-19(28)15-17/h3-8,11-13,15,24,36H,1-2,9-10,14H2,(H,29,32,35)(H,30,34,37)
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n/an/a 5n/an/an/an/an/an/a



Calithera Biosciences Inc.

US Patent


Assay Description
Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay th...


US Patent US8604016 (2013)


BindingDB Entry DOI: 10.7270/Q2CC0ZBW
More data for this
Ligand-Target Pair