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5 similar compounds to monomer 50198836

Compile data set for download or QSAR
Wt: 398.4
BDBM50198830
Wt: 370.4
BDBM50198832
Wt: 370.4
BDBM50198834
Wt: 342.3
BDBM50324676
Purchase
Wt: 342.3
BDBM50324677

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50198830,50198832,50198834,50324676,50324677   
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))
BDBM50324676
PNG
((R)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1
Show InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1
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18n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma binding


Nat Chem Biol 2: 434-41 (2006)


Article DOI: 10.1038/nchembio804
BindingDB Entry DOI: 10.7270/Q2KD1Z4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50324676
PNG
((R)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCc1cccc(NC(=O)[C@H](N)CCP(O)(O)=O)c1
Show InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1
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77n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma binding


Nat Chem Biol 2: 434-41 (2006)


Article DOI: 10.1038/nchembio804
BindingDB Entry DOI: 10.7270/Q2KD1Z4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50324677
PNG
((S)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCc1cccc(NC(=O)[C@@H](N)CCP(O)(O)=O)c1
Show InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m0/s1
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2.84E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma binding


Nat Chem Biol 2: 434-41 (2006)


Article DOI: 10.1038/nchembio804
BindingDB Entry DOI: 10.7270/Q2KD1Z4S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50324677
PNG
((S)-3-amino-4-(3-hexylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCc1cccc(NC(=O)[C@@H](N)CCP(O)(O)=O)c1
Show InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m0/s1
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4.63E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma binding


Nat Chem Biol 2: 434-41 (2006)


Article DOI: 10.1038/nchembio804
BindingDB Entry DOI: 10.7270/Q2KD1Z4S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50198830
PNG
((R)-3-amino-4-(4-decylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C20H35N2O4P/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-20(23)19(21)15-16-27(24,25)26/h11-14,19H,2-10,15-16,21H2,1H3,(H,22,23)(H2,24,25,26)/t19-/m1/s1
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n/an/an/an/a 43n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P3 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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50198834
PNG
(CHEMBL227851 | [3-amino-3-(4-octylphenylcarbamoyl)...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(21)17(19)13-14-25(22,23)24/h9-12,17H,2-8,13-14,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
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n/an/an/an/a 27n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P1 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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50198834
PNG
(CHEMBL227851 | [3-amino-3-(4-octylphenylcarbamoyl)...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(21)17(19)13-14-25(22,23)24/h9-12,17H,2-8,13-14,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
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n/an/an/an/a 270n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P3 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
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50198834
PNG
(CHEMBL227851 | [3-amino-3-(4-octylphenylcarbamoyl)...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(21)17(19)13-14-25(22,23)24/h9-12,17H,2-8,13-14,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
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n/an/an/an/a 76n/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
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50198830
PNG
((R)-3-amino-4-(4-decylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C20H35N2O4P/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-20(23)19(21)15-16-27(24,25)26/h11-14,19H,2-10,15-16,21H2,1H3,(H,22,23)(H2,24,25,26)/t19-/m1/s1
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n/an/an/an/a 30n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50198832
PNG
(CHEMBL227530 | [3-amino-3-(4-octylphenylcarbamoyl)...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(21)17(19)13-14-25(22,23)24/h9-12,17H,2-8,13-14,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m0/s1
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n/an/an/an/a 1.50E+4n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P3 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
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50198830
PNG
((R)-3-amino-4-(4-decylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C20H35N2O4P/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-20(23)19(21)15-16-27(24,25)26/h11-14,19H,2-10,15-16,21H2,1H3,(H,22,23)(H2,24,25,26)/t19-/m1/s1
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n/an/an/an/a 270n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P2 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
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50198834
PNG
(CHEMBL227851 | [3-amino-3-(4-octylphenylcarbamoyl)...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(21)17(19)13-14-25(22,23)24/h9-12,17H,2-8,13-14,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
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n/an/an/an/a 2.30E+3n/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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50198830
PNG
((R)-3-amino-4-(4-decylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C20H35N2O4P/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-20(23)19(21)15-16-27(24,25)26/h11-14,19H,2-10,15-16,21H2,1H3,(H,22,23)(H2,24,25,26)/t19-/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P1 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
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50198830
PNG
((R)-3-amino-4-(4-decylphenylamino)-4-oxobutylphosp...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C20H35N2O4P/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)22-20(23)19(21)15-16-27(24,25)26/h11-14,19H,2-10,15-16,21H2,1H3,(H,22,23)(H2,24,25,26)/t19-/m1/s1
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n/an/an/an/a 230n/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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50198832
PNG
(CHEMBL227530 | [3-amino-3-(4-octylphenylcarbamoyl)...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCP(O)(O)=O)cc1
Show InChI InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(21)17(19)13-14-25(22,23)24/h9-12,17H,2-8,13-14,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Activity at human S1P1 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