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Patent code US9663511

Compile Data Set for Download or QSAR
Found 44 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 Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329368
PNG
(US9663511, Compound 1. | US9663511, Compound 27.)
Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12
Show InChI InChI=1S/C19H21Cl2N7O/c1-5-6-28-18-17(11(4)27-28)13(10(2)3)9-16(24-18)25-26-19(29)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H,24,25)(H2,22,23,26,29)
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n/an/a 1.20n/an/an/an/an/an/a



Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM50065628
PNG
(CHEMBL1368758 | US9663511, Compound JTE013)
Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(C)nc(C)c12
Show InChI InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329368
PNG
(US9663511, Compound 1. | US9663511, Compound 27.)
Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12
Show InChI InChI=1S/C19H21Cl2N7O/c1-5-6-28-18-17(11(4)27-28)13(10(2)3)9-16(24-18)25-26-19(29)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H,24,25)(H2,22,23,26,29)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329369
PNG
(US9663511, Compound 2.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CC(O)=O)NC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C19H21Cl2N7O3/c1-9(2)12-7-15(24-18-17(12)10(3)25-27(18)4)28(8-16(29)30)26-19(31)22-11-5-13(20)23-14(21)6-11/h5-7,9H,8H2,1-4H3,(H,29,30)(H2,22,23,26,31)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329381
PNG
(US9663511, Compound 38.)
Show SMILES CCNc1cc(NC(=O)NN(CCO)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show InChI InChI=1S/C21H29ClN8O2/c1-6-23-17-10-14(9-16(22)25-17)24-21(32)28-30(7-8-31)18-11-15(12(2)3)19-13(4)27-29(5)20(19)26-18/h9-12,31H,6-8H2,1-5H3,(H3,23,24,25,28,32)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329381
PNG
(US9663511, Compound 38.)
Show SMILES CCNc1cc(NC(=O)NN(CCO)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show InChI InChI=1S/C21H29ClN8O2/c1-6-23-17-10-14(9-16(22)25-17)24-21(32)28-30(7-8-31)18-11-15(12(2)3)19-13(4)27-29(5)20(19)26-18/h9-12,31H,6-8H2,1-5H3,(H3,23,24,25,28,32)
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n/an/a 4.60n/an/an/an/an/an/a



Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329376
PNG
(US9663511, Compound 33.)
Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c(CCCO)nn(C)c12
Show InChI InChI=1S/C19H23Cl2N7O2/c1-10(2)12-9-16(24-17-13(5-4-6-29)27-28(3)18(12)17)25-26-19(30)22-11-7-14(20)23-15(21)8-11/h7-10,29H,4-6H2,1-3H3,(H,24,25)(H2,22,23,26,30)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329374
PNG
(US9663511, Compound 9.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C19H23Cl2N7O2/c1-10(2)13-9-16(24-18-17(13)11(3)25-27(18)4)28(5-6-29)26-19(30)22-12-7-14(20)23-15(21)8-12/h7-10,29H,5-6H2,1-4H3,(H2,22,23,26,30)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329373
PNG
(US9663511, Compound 6.)
Show SMILES CC(C)c1cc(ONC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12
Show InChI InChI=1S/C19H20Cl2N6O2/c1-5-6-27-18-17(11(4)25-27)13(10(2)3)9-16(24-18)29-26-19(28)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H2,22,23,26,28)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329376
PNG
(US9663511, Compound 33.)
Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c(CCCO)nn(C)c12
Show InChI InChI=1S/C19H23Cl2N7O2/c1-10(2)12-9-16(24-17-13(5-4-6-29)27-28(3)18(12)17)25-26-19(30)22-11-7-14(20)23-15(21)8-11/h7-10,29H,4-6H2,1-3H3,(H,24,25)(H2,22,23,26,30)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329379
PNG
(US9663511, Compound 36.)
Show SMILES CCCOc1cc(NC(=O)NN(CCO)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show InChI InChI=1S/C22H30ClN7O3/c1-6-9-33-19-11-15(10-17(23)25-19)24-22(32)28-30(7-8-31)18-12-16(13(2)3)20-14(4)27-29(5)21(20)26-18/h10-13,31H,6-9H2,1-5H3,(H2,24,25,28,32)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM50065628
PNG
(CHEMBL1368758 | US9663511, Compound JTE013)
Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(C)nc(C)c12
Show InChI InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329369
PNG
(US9663511, Compound 2.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CC(O)=O)NC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C19H21Cl2N7O3/c1-9(2)12-7-15(24-18-17(12)10(3)25-27(18)4)28(8-16(29)30)26-19(31)22-11-5-13(20)23-14(21)6-11/h5-7,9H,8H2,1-4H3,(H,29,30)(H2,22,23,26,31)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329377
PNG
(US9663511, Compound 34.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCCO)NC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C20H25Cl2N7O2/c1-11(2)14-10-17(25-19-18(14)12(3)26-28(19)4)29(6-5-7-30)27-20(31)23-13-8-15(21)24-16(22)9-13/h8-11,30H,5-7H2,1-4H3,(H2,23,24,27,31)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329378
PNG
(US9663511, Compound 35.)
Show SMILES CCOc1cc(NC(=O)NN(CCO)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show InChI InChI=1S/C21H28ClN7O3/c1-6-32-18-10-14(9-16(22)24-18)23-21(31)27-29(7-8-30)17-11-15(12(2)3)19-13(4)26-28(5)20(19)25-17/h9-12,30H,6-8H2,1-5H3,(H2,23,24,27,31)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329377
PNG
(US9663511, Compound 34.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCCO)NC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C20H25Cl2N7O2/c1-11(2)14-10-17(25-19-18(14)12(3)26-28(19)4)29(6-5-7-30)27-20(31)23-13-8-15(21)24-16(22)9-13/h8-11,30H,5-7H2,1-4H3,(H2,23,24,27,31)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329382
PNG
(US9663511, Compound 39.)
Show SMILES CCN(C)c1cc(NC(=O)NN(CCO)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show InChI InChI=1S/C22H31ClN8O2/c1-7-29(5)18-11-15(10-17(23)25-18)24-22(33)28-31(8-9-32)19-12-16(13(2)3)20-14(4)27-30(6)21(20)26-19/h10-13,32H,7-9H2,1-6H3,(H2,24,25,28,33)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329374
PNG
(US9663511, Compound 9.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C19H23Cl2N7O2/c1-10(2)13-9-16(24-18-17(13)11(3)25-27(18)4)28(5-6-29)26-19(30)22-12-7-14(20)23-15(21)8-12/h7-10,29H,5-6H2,1-4H3,(H2,22,23,26,30)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329378
PNG
(US9663511, Compound 35.)
Show SMILES CCOc1cc(NC(=O)NN(CCO)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show InChI InChI=1S/C21H28ClN7O3/c1-6-32-18-10-14(9-16(22)24-18)23-21(31)27-29(7-8-30)17-11-15(12(2)3)19-13(4)26-28(5)20(19)25-17/h9-12,30H,6-8H2,1-5H3,(H2,23,24,27,31)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329379
PNG
(US9663511, Compound 36.)
Show SMILES CCCOc1cc(NC(=O)NN(CCO)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show InChI InChI=1S/C22H30ClN7O3/c1-6-9-33-19-11-15(10-17(23)25-19)24-22(32)28-30(7-8-31)18-12-16(13(2)3)20-14(4)27-29(5)21(20)26-18/h10-13,31H,6-9H2,1-5H3,(H2,24,25,28,32)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329382
PNG
(US9663511, Compound 39.)
Show SMILES CCN(C)c1cc(NC(=O)NN(CCO)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show InChI InChI=1S/C22H31ClN8O2/c1-7-29(5)18-11-15(10-17(23)25-18)24-22(33)28-31(8-9-32)19-12-16(13(2)3)20-14(4)27-30(6)21(20)26-19/h10-13,32H,7-9H2,1-6H3,(H2,24,25,28,33)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329371
PNG
(US9663511, Compound 4.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CC=C)NC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C20H23Cl2N7O/c1-6-7-29(27-20(30)23-13-8-15(21)24-16(22)9-13)17-10-14(11(2)3)18-12(4)26-28(5)19(18)25-17/h6,8-11H,1,7H2,2-5H3,(H2,23,24,27,30)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329373
PNG
(US9663511, Compound 6.)
Show SMILES CC(C)c1cc(ONC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12
Show InChI InChI=1S/C19H20Cl2N6O2/c1-5-6-27-18-17(11(4)25-27)13(10(2)3)9-16(24-18)29-26-19(28)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H2,22,23,26,28)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329385
PNG
(US9663511, Compound 42.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cc(Cl)c(Cl)s1
Show InChI InChI=1S/C18H22Cl2N6O2S/c1-9(2)11-7-13(21-17-15(11)10(3)23-25(17)4)26(5-6-27)24-18(28)22-14-8-12(19)16(20)29-14/h7-9,27H,5-6H2,1-4H3,(H2,22,24,28)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329387
PNG
(US9663511, Compound 44.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cc(Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24ClF3N6O2/c1-11(2)16-10-17(27-19-18(16)12(3)28-30(19)4)31(5-6-32)29-20(33)26-15-8-13(21(23,24)25)7-14(22)9-15/h7-11,32H,5-6H2,1-4H3,(H2,26,29,33)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329368
PNG
(US9663511, Compound 1. | US9663511, Compound 27.)
Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12
Show InChI InChI=1S/C19H21Cl2N7O/c1-5-6-28-18-17(11(4)27-28)13(10(2)3)9-16(24-18)25-26-19(29)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H,24,25)(H2,22,23,26,29)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329371
PNG
(US9663511, Compound 4.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CC=C)NC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C20H23Cl2N7O/c1-6-7-29(27-20(30)23-13-8-15(21)24-16(22)9-13)17-10-14(11(2)3)18-12(4)26-28(5)19(18)25-17/h6,8-11H,1,7H2,2-5H3,(H2,23,24,27,30)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329387
PNG
(US9663511, Compound 44.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cc(Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24ClF3N6O2/c1-11(2)16-10-17(27-19-18(16)12(3)28-30(19)4)31(5-6-32)29-20(33)26-15-8-13(21(23,24)25)7-14(22)9-15/h7-11,32H,5-6H2,1-4H3,(H2,26,29,33)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329380
PNG
(US9663511, Compound 37.)
Show SMILES COCCOc1cc(NC(=O)NN(CCO)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show InChI InChI=1S/C22H30ClN7O4/c1-13(2)16-12-18(26-21-20(16)14(3)27-29(21)4)30(6-7-31)28-22(32)24-15-10-17(23)25-19(11-15)34-9-8-33-5/h10-13,31H,6-9H2,1-5H3,(H2,24,25,28,32)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329368
PNG
(US9663511, Compound 1. | US9663511, Compound 27.)
Show SMILES CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2n(CC=C)nc(C)c12
Show InChI InChI=1S/C19H21Cl2N7O/c1-5-6-28-18-17(11(4)27-28)13(10(2)3)9-16(24-18)25-26-19(29)22-12-7-14(20)23-15(21)8-12/h5,7-10H,1,6H2,2-4H3,(H,24,25)(H2,22,23,26,29)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329385
PNG
(US9663511, Compound 42.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cc(Cl)c(Cl)s1
Show InChI InChI=1S/C18H22Cl2N6O2S/c1-9(2)11-7-13(21-17-15(11)10(3)23-25(17)4)26(5-6-27)24-18(28)22-14-8-12(19)16(20)29-14/h7-9,27H,5-6H2,1-4H3,(H2,22,24,28)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329383
PNG
(US9663511, Compound 40.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cnc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H23Cl2N7O2/c1-10(2)13-8-15(24-18-16(13)11(3)25-27(18)4)28(5-6-29)26-19(30)23-12-7-14(20)17(21)22-9-12/h7-10,29H,5-6H2,1-4H3,(H2,23,26,30)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329386
PNG
(US9663511, Compound 43.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cc(Cl)c(C)s1
Show InChI InChI=1S/C19H25ClN6O2S/c1-10(2)13-8-15(21-18-17(13)11(3)23-25(18)5)26(6-7-27)24-19(28)22-16-9-14(20)12(4)29-16/h8-10,27H,6-7H2,1-5H3,(H2,22,24,28)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329370
PNG
(US9663511, Compound 3.)
Show SMILES CC(C)c1cc(nc2n(CC=C)nc(C)c12)N(CC(O)=O)NC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C21H23Cl2N7O3/c1-5-6-29-20-19(12(4)27-29)14(11(2)3)9-17(26-20)30(10-18(31)32)28-21(33)24-13-7-15(22)25-16(23)8-13/h5,7-9,11H,1,6,10H2,2-4H3,(H,31,32)(H2,24,25,28,33)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329370
PNG
(US9663511, Compound 3.)
Show SMILES CC(C)c1cc(nc2n(CC=C)nc(C)c12)N(CC(O)=O)NC(=O)Nc1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C21H23Cl2N7O3/c1-5-6-29-20-19(12(4)27-29)14(11(2)3)9-17(26-20)30(10-18(31)32)28-21(33)24-13-7-15(22)25-16(23)8-13/h5,7-9,11H,1,6,10H2,2-4H3,(H,31,32)(H2,24,25,28,33)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329372
PNG
(US9663511, Compound 5.)
Show SMILES Cc1nn(CC=C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(c12)C(F)(F)F
Show InChI InChI=1S/C17H14Cl2F3N7O/c1-3-4-29-15-14(8(2)28-29)10(17(20,21)22)7-13(25-15)26-27-16(30)23-9-5-11(18)24-12(19)6-9/h3,5-7H,1,4H2,2H3,(H,25,26)(H2,23,24,27,30)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329386
PNG
(US9663511, Compound 43.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cc(Cl)c(C)s1
Show InChI InChI=1S/C19H25ClN6O2S/c1-10(2)13-8-15(21-18-17(13)11(3)23-25(18)5)26(6-7-27)24-19(28)22-16-9-14(20)12(4)29-16/h8-10,27H,6-7H2,1-5H3,(H2,22,24,28)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329380
PNG
(US9663511, Compound 37.)
Show SMILES COCCOc1cc(NC(=O)NN(CCO)c2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show InChI InChI=1S/C22H30ClN7O4/c1-13(2)16-12-18(26-21-20(16)14(3)27-29(21)4)30(6-7-31)28-22(32)24-15-10-17(23)25-19(11-15)34-9-8-33-5/h10-13,31H,6-9H2,1-5H3,(H2,24,25,28,32)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329384
PNG
(US9663511, Compound 41.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1ccc(Cl)nc1Cl
Show InChI InChI=1S/C19H23Cl2N7O2/c1-10(2)12-9-15(24-18-16(12)11(3)25-27(18)4)28(7-8-29)26-19(30)22-13-5-6-14(20)23-17(13)21/h5-6,9-10,29H,7-8H2,1-4H3,(H2,22,26,30)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329383
PNG
(US9663511, Compound 40.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cnc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H23Cl2N7O2/c1-10(2)13-8-15(24-18-16(13)11(3)25-27(18)4)28(5-6-29)26-19(30)23-12-7-14(20)17(21)22-9-12/h7-10,29H,5-6H2,1-4H3,(H2,23,26,30)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM329388
PNG
(US9663511, Compound 45.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cc(Cl)no1
Show InChI InChI=1S/C17H22ClN7O3/c1-9(2)11-7-13(19-16-15(11)10(3)21-24(16)4)25(5-6-26)22-17(27)20-14-8-12(18)23-28-14/h7-9,26H,5-6H2,1-4H3,(H2,20,22,27)
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Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329388
PNG
(US9663511, Compound 45.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1cc(Cl)no1
Show InChI InChI=1S/C17H22ClN7O3/c1-9(2)11-7-13(19-16-15(11)10(3)21-24(16)4)25(5-6-26)22-17(27)20-14-8-12(18)23-28-14/h7-9,26H,5-6H2,1-4H3,(H2,20,22,27)
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PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329384
PNG
(US9663511, Compound 41.)
Show SMILES CC(C)c1cc(nc2n(C)nc(C)c12)N(CCO)NC(=O)Nc1ccc(Cl)nc1Cl
Show InChI InChI=1S/C19H23Cl2N7O2/c1-10(2)12-9-15(24-18-16(12)11(3)25-27(18)4)28(7-8-29)26-19(30)22-13-5-6-14(20)23-17(13)21/h5-6,9-10,29H,7-8H2,1-4H3,(H2,22,26,30)
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PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3


(Homo sapiens (human))
BDBM329372
PNG
(US9663511, Compound 5.)
Show SMILES Cc1nn(CC=C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(c12)C(F)(F)F
Show InChI InChI=1S/C17H14Cl2F3N7O/c1-3-4-29-15-14(8(2)28-29)10(17(20,21)22)7-13(25-15)26-27-16(30)23-9-5-11(18)24-12(19)6-9/h3,5-7H,1,4H2,2H3,(H,25,26)(H2,23,24,27,30)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Arroyo BioSciences, LLC

US Patent


Assay Description
I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds w...


US Patent US9663511 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%