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PubChem AID 2332

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM62223
PNG
(5-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-fu...)
Show SMILES Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H15Cl2NO2/c1-11-4-3-5-12(2)18(11)22-19(23)17-9-8-16(24-17)14-7-6-13(20)10-15(14)21/h3-10H,1-2H3,(H,22,23)
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n/an/a 39.3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM57614
PNG
(1-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-phenyl-...)
Show SMILES FC(F)(F)COc1cc(NC(=O)Nc2ccccc2)cc(OCC(F)(F)F)c1
Show InChI InChI=1S/C17H14F6N2O3/c18-16(19,20)9-27-13-6-12(7-14(8-13)28-10-17(21,22)23)25-15(26)24-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,24,25,26)
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n/an/a 82.7n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM62228
PNG
((E)-N-(4-hydroxy-2-isopropyl-5-methyl-phenyl)-3-ph...)
Show SMILES CC(C)c1cc(O)c(C)cc1NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-13(2)16-12-18(21)14(3)11-17(16)20-19(22)10-9-15-7-5-4-6-8-15/h4-13,21H,1-3H3,(H,20,22)/b10-9+
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n/an/a 339n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM61070
PNG
((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...)
Show SMILES CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)C1=Nn2c(SC1)nnc2-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17ClF2N4O3S/c1-2-31-20(30)17(11-13-3-9-16(10-4-13)32-21(24)25)18-12-33-22-27-26-19(29(22)28-18)14-5-7-15(23)8-6-14/h3-11,21H,2,12H2,1H3
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n/an/a 342n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM60223
PNG
(4-methyl-N-(8-quinolinyl)benzenesulfonamide | 4-me...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C16H14N2O2S/c1-12-7-9-14(10-8-12)21(19,20)18-15-6-2-4-13-5-3-11-17-16(13)15/h2-11,18H,1H3
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n/an/a 550n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM62225
PNG
((E)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1-...)
Show SMILES Clc1ccc(\C=C(\C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C20H13ClN2OS/c21-14-9-7-13(8-10-14)12-15(19(24)18-6-3-11-25-18)20-22-16-4-1-2-5-17(16)23-20/h1-12H,(H,22,23)/b15-12-
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n/an/a 738n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM57129
PNG
(2-({2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl}th...)
Show SMILES [O-][N+](=O)c1cc(ccc1Sc1nc2ccccc2[nH]1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C14H8F3N3O4S2/c15-14(16,17)26(23,24)8-5-6-12(11(7-8)20(21)22)25-13-18-9-3-1-2-4-10(9)19-13/h1-7H,(H,18,19)
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n/an/a 770n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM62222
PNG
(2-(4-bromobenzylidene)malonic acid diethyl ester |...)
Show SMILES CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC
Show InChI InChI=1S/C14H15BrO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3
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n/an/a 887n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM47478
PNG
(2-(4-chlorophenyl)sulfonyl-6-methoxy-3-nitro-pyrid...)
Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H9ClN2O5S/c1-20-11-7-6-10(15(16)17)12(14-11)21(18,19)9-4-2-8(13)3-5-9/h2-7H,1H3
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n/an/a 1.15E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM62229
PNG
(2-(benzenesulfonyl)-6-methoxy-3-nitropyridine | 2-...)
Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C12H10N2O5S/c1-19-11-8-7-10(14(15)16)12(13-11)20(17,18)9-5-3-2-4-6-9/h2-8H,1H3
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n/an/a 1.42E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM62230
PNG
(5-nitro-2-(4-pyrimidinylthio)thiazole | 5-nitro-2-...)
Show SMILES [O-][N+](=O)c1cnc(Sc2ccncn2)s1
Show InChI InChI=1S/C7H4N4O2S2/c12-11(13)6-3-9-7(15-6)14-5-1-2-8-4-10-5/h1-4H
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n/an/a 1.72E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM57399
PNG
(2-[2-ethoxy-4-(2-nitrovinyl)phenoxy]-N-(2-methylph...)
Show SMILES CCOc1cc(\C=C/[N+]([O-])=O)ccc1OCC(=O)Nc1ccccc1C
Show InChI InChI=1S/C19H20N2O5/c1-3-25-18-12-15(10-11-21(23)24)8-9-17(18)26-13-19(22)20-16-7-5-4-6-14(16)2/h4-12H,3,13H2,1-2H3,(H,20,22)/b11-10-
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n/an/a 1.80E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM36928
PNG
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C
Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1
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n/an/a 2.89E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM43513
PNG
(3-(4-Phenyl-6-trifluoromethyl-pyrimidine-2-sulfony...)
Show SMILES COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C15H13F3N2O4S/c1-24-13(21)7-8-25(22,23)14-19-11(10-5-3-2-4-6-10)9-12(20-14)15(16,17)18/h2-6,9H,7-8H2,1H3
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n/an/a 3.45E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM47411
PNG
(MLS000558488 | N-[(1S)-1-[5-(2-methylbenzyl)sulfon...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C23H27N3O5S/c1-16-10-8-9-13-18(16)15-32(28,29)22-26-25-20(30-22)19(14-17-11-6-5-7-12-17)24-21(27)31-23(2,3)4/h5-13,19H,14-15H2,1-4H3,(H,24,27)/t19-/m0/s1
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n/an/a 3.49E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM43506
PNG
(3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulf...)
Show SMILES CCOC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C16H15F3N2O4S/c1-2-25-14(22)8-9-26(23,24)15-20-12(11-6-4-3-5-7-11)10-13(21-15)16(17,18)19/h3-7,10H,2,8-9H2,1H3
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n/an/a 3.58E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM46781
PNG
((3R,3aR)-2-benzoyl-3-(4-fluorobenzyl)-5-keto-4-met...)
Show SMILES COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C
Show InChI InChI=1S/C24H20FNO4/c1-15-20(27)12-18-14-26(22(28)17-6-4-3-5-7-17)24(21(15)18,23(29)30-2)13-16-8-10-19(25)11-9-16/h3-12,21H,1,13-14H2,2H3/t21-,24+/m0/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM43228
PNG
(1,1,4,4-tetraketo-6-phenyl-N-(p-tolyl)-2,3-dihydro...)
Show SMILES Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1
Show InChI InChI=1S/C18H17NO5S2/c1-13-7-9-15(10-8-13)19-18(20)17-16(14-5-3-2-4-6-14)25(21,22)11-12-26(17,23)24/h2-10H,11-12H2,1H3,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM37141
PNG
(1-(3-methoxyphenyl)-5-(propylsulfonyl)-1H-tetrazol...)
Show SMILES CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
Show InChI InChI=1S/C11H14N4O3S/c1-3-7-19(16,17)11-12-13-14-15(11)9-5-4-6-10(8-9)18-2/h4-6,8H,3,7H2,1-2H3
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n/an/a 4.51E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM47469
PNG
(2-keto-4-phenylimino-N-styrylidene-but-3-enamide |...)
Show SMILES O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc1ccccc1
Show InChI InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H
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n/an/a 4.55E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM41592
PNG
((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...)
Show SMILES COc1ccc(NC(=O)C(\Cl)=C(\Cl)S(=O)(=O)Cc2ccccc2)cn1
Show InChI InChI=1S/C16H14Cl2N2O4S/c1-24-13-8-7-12(9-19-13)20-16(21)14(17)15(18)25(22,23)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21)/b15-14+
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n/an/a 5.28E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM54824
PNG
(2-(4,5-dichloro-6-keto-pyridazin-1-yl)-N-(5-methox...)
Show SMILES COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)cc1[N+]([O-])=O
Show InChI InChI=1S/C14H12Cl2N4O5/c1-7-3-10(20(23)24)11(25-2)4-9(7)18-12(21)6-19-14(22)13(16)8(15)5-17-19/h3-5H,6H2,1-2H3,(H,18,21)
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n/an/a 6.74E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM47457
PNG
(Butyric acid N',N'-dimethyl-N-(2,2,3,3-tet...)
Show SMILES CCCC(=O)N(C1CC(C)C(C#N)(C#N)C1(C#N)C#N)N(C)C
Show InChI InChI=1S/C16H20N6O/c1-5-6-14(23)22(21(3)4)13-7-12(2)15(8-17,9-18)16(13,10-19)11-20/h12-13H,5-7H2,1-4H3
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n/an/a 9.68E+3n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM62226
PNG
(5-(3,4-dichlorophenyl)sulfonyl-4-phenyl-1,2,3-thia...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)c1snnc1-c1ccccc1
Show InChI InChI=1S/C14H8Cl2N2O2S2/c15-11-7-6-10(8-12(11)16)22(19,20)14-13(17-18-21-14)9-4-2-1-3-5-9/h1-8H
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n/an/a 1.08E+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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM62227
PNG
(5-(4-chlorophenyl)sulfonyl-N-phenyl-1,2,3-thiadiaz...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C15H10ClN3O3S2/c16-10-6-8-12(9-7-10)24(21,22)15-13(18-19-23-15)14(20)17-11-4-2-1-3-5-11/h1-9H,(H,17,20)
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n/an/a 1.12E+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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM57378
PNG
(5-(4-chlorophenyl)sulfinyl-N-phenyl-1,2,3-thiadiaz...)
Show SMILES Clc1ccc(cc1)S(=O)c1snnc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C15H10ClN3O2S2/c16-10-6-8-12(9-7-10)23(21)15-13(18-19-22-15)14(20)17-11-4-2-1-3-5-11/h1-9H,(H,17,20)
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n/an/a 1.20E+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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM41589
PNG
((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...)
Show SMILES COc1ccc(NC(=O)C(\Cl)=C(\Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1
Show InChI InChI=1S/C17H16Cl2N2O4S/c1-11-3-5-12(6-4-11)10-26(23,24)16(19)15(18)17(22)21-13-7-8-14(25-2)20-9-13/h3-9H,10H2,1-2H3,(H,21,22)/b16-15+
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n/an/a 1.54E+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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM61058
PNG
((E)-2-(benzenesulfonyl)-3-[5-(3,4-dichlorophenyl)-...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
Show InChI InChI=1S/C25H18Cl2N2O4S/c26-21-10-8-18(13-22(21)27)23-11-9-19(33-23)14-24(34(31,32)20-6-2-1-3-7-20)25(30)29-16-17-5-4-12-28-15-17/h1-15H,16H2,(H,29,30)/b24-14+
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n/an/a>5.00E+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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (human))
BDBM62224
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluo...)
Show SMILES Fc1cccc(F)c1C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H6Br2F2N2O3/c13-6-4-17-18(11(19)10(6)14)5-21-12(20)9-7(15)2-1-3-8(9)16/h1-4H,5H2
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n/an/a 8.88E+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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%