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8 similar compounds to monomer 50172244

Compile data set for download or QSAR
Wt: 400.4
BDBM50133417
Wt: 344.3
BDBM50133419
Wt: 372.3
BDBM50133423
Wt: 428.5
BDBM50133424
Wt: 372.3
BDBM50133425
Wt: 344.3
BDBM50133426
Wt: 441.5
BDBM50172239

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50133417,50133419,50133423,50133424,50133425,50133426,50172239   
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))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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30n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Displacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cells


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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300n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Displacement of [32P]S1P from human S1P3 receptor expressed in HEK293T cells


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172239
PNG
(CHEMBL3809014 | US10040788, Example 11)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1
Show InChI InChI=1/C20H23N7O3S/c1-29-15-7-5-13(6-8-15)17(30-2)18(28)23-20-26-25-19(31-20)22-14-9-11-27(12-14)16-4-3-10-21-24-16/h3-8,10,14,17H,9,11-12H2,1-2H3,(H,22,25)(H,23,26,28)/t14-,17+/s2
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n/an/a 31n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 6His-tagged GLS1 (63-669 residues) (unknown origin) expressed in Escherichia coli using glutamine as substrate after 15 mins by Glutama...


ACS Med Chem Lett 7: 207-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00016
BindingDB Entry DOI: 10.7270/Q2GX4DG1
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172239
PNG
(CHEMBL3809014 | US10040788, Example 11)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1
Show InChI InChI=1/C20H23N7O3S/c1-29-15-7-5-13(6-8-15)17(30-2)18(28)23-20-26-25-19(31-20)22-14-9-11-27(12-14)16-4-3-10-21-24-16/h3-8,10,14,17H,9,11-12H2,1-2H3,(H,22,25)(H,23,26,28)/t14-,17+/s2
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n/an/a 0.401n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GLS1 in human PC3 cells assessed as cellular glutamate depletion levels after 6 hrs by Glutamate Oxidase/ AmplexRed coupled assay


ACS Med Chem Lett 7: 207-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00016
BindingDB Entry DOI: 10.7270/Q2GX4DG1
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50133417
PNG
(CHEMBL334038 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H33N2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)21-19(22)18(20)15-26-27(23,24)25/h11-14,18H,2-10,15,20H2,1H3,(H,21,22)(H2,23,24,25)/t18-/m1/s1
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n/an/an/an/a 41n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50133419
PNG
(CHEMBL114031 | Phosphoric acid mono-[(S)-2-amino-2...)
Show SMILES CCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C15H25N2O5P/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11-22-23(19,20)21/h7-10,14H,2-6,11,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m0/s1
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n/an/an/an/a 550n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50133423
PNG
(CHEMBL332050 | Phosphoric acid mono-[(S)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50133417
PNG
(CHEMBL334038 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H33N2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)21-19(22)18(20)15-26-27(23,24)25/h11-14,18H,2-10,15,20H2,1H3,(H,21,22)(H2,23,24,25)/t18-/m1/s1
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n/an/an/an/a 89n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50133424
PNG
(CHEMBL116953 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H37N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)23-21(24)20(22)17-28-29(25,26)27/h13-16,20H,2-12,17,22H2,1H3,(H,23,24)(H2,25,26,27)/t20-/m1/s1
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n/an/an/an/a 160n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50133424
PNG
(CHEMBL116953 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H37N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)23-21(24)20(22)17-28-29(25,26)27/h13-16,20H,2-12,17,22H2,1H3,(H,23,24)(H2,25,26,27)/t20-/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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n/an/an/an/a 52n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50133426
PNG
(CHEMBL115344 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C15H25N2O5P/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11-22-23(19,20)21/h7-10,14H,2-6,11,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m1/s1
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n/an/an/an/a 880n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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n/an/an/an/a 450n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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n/an/an/an/a 58n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50133426
PNG
(CHEMBL115344 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C15H25N2O5P/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11-22-23(19,20)21/h7-10,14H,2-6,11,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m1/s1
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n/an/an/an/a 43n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50133424
PNG
(CHEMBL116953 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H37N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)23-21(24)20(22)17-28-29(25,26)27/h13-16,20H,2-12,17,22H2,1H3,(H,23,24)(H2,25,26,27)/t20-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50133419
PNG
(CHEMBL114031 | Phosphoric acid mono-[(S)-2-amino-2...)
Show SMILES CCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C15H25N2O5P/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11-22-23(19,20)21/h7-10,14H,2-6,11,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m0/s1
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n/an/an/an/a 55n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50133417
PNG
(CHEMBL334038 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H33N2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)21-19(22)18(20)15-26-27(23,24)25/h11-14,18H,2-10,15,20H2,1H3,(H,21,22)(H2,23,24,25)/t18-/m1/s1
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n/an/an/an/a 8.60n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50133419
PNG
(CHEMBL114031 | Phosphoric acid mono-[(S)-2-amino-2...)
Show SMILES CCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C15H25N2O5P/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11-22-23(19,20)21/h7-10,14H,2-6,11,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50133426
PNG
(CHEMBL115344 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C15H25N2O5P/c1-2-3-4-5-6-12-7-9-13(10-8-12)17-15(18)14(16)11-22-23(19,20)21/h7-10,14H,2-6,11,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m1/s1
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n/an/an/an/a 260n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50133423
PNG
(CHEMBL332050 | Phosphoric acid mono-[(S)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1
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n/an/an/an/a 910n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50133423
PNG
(CHEMBL332050 | Phosphoric acid mono-[(S)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human S1P3 receptor expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50133417
PNG
(CHEMBL334038 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C19H33N2O5P/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)21-19(22)18(20)15-26-27(23,24)25/h11-14,18H,2-10,15,20H2,1H3,(H,21,22)(H2,23,24,25)/t18-/m1/s1
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n/an/an/an/a 450n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50133424
PNG
(CHEMBL116953 | Phosphoric acid mono-[(R)-2-amino-2...)
Show SMILES CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C21H37N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)23-21(24)20(22)17-28-29(25,26)27/h13-16,20H,2-12,17,22H2,1H3,(H,23,24)(H2,25,26,27)/t20-/m1/s1
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n/an/an/an/a 740n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50133423
PNG
(CHEMBL332050 | Phosphoric acid mono-[(S)-2-amino-2...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1
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n/an/an/an/a 82n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand


Bioorg Med Chem Lett 13: 3401-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00812-6
BindingDB Entry DOI: 10.7270/Q29S1RMW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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n/an/an/an/a 480n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P5 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172239
PNG
(CHEMBL3809014 | US10040788, Example 11)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1
Show InChI InChI=1/C20H23N7O3S/c1-29-15-7-5-13(6-8-15)17(30-2)18(28)23-20-26-25-19(31-20)22-14-9-11-27(12-14)16-4-3-10-21-24-16/h3-8,10,14,17H,9,11-12H2,1-2H3,(H,22,25)(H,23,26,28)/t14-,17+/s2
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US Patent
n/an/a 31n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent


Assay Description
A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His t...


US Patent US10040788 (2018)


Article DOI: 10.1021/jm970641d
BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50133425
PNG
(CHEMBL227371 | CHEMBL422074 | Phosphoric acid mono...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(O)(O)=O)cc1
Show InChI InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P4 receptor expressed in HEK293T cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 15: 663-77 (2006)


Article DOI: 10.1016/j.bmc.2006.10.060
BindingDB Entry DOI: 10.7270/Q2FN15VV
More data for this
Ligand-Target Pair