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Patent code US9321738

Compile Data Set for Download or QSAR
Found 28 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
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398095
PNG
(CHEMBL2182043 | US9321738, 2)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O4/c1-18(19-6-4-3-5-7-19)36-27(35)29-25-24(30-31-32(25)2)22-10-8-20(9-11-22)21-12-14-23(15-13-21)28(16-17-28)26(33)34/h3-15,18H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398093
PNG
(CHEMBL2182046 | US9321738, 6)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N4O4/c1-17(21-4-3-5-23(16-21)29(30,31)32)40-27(39)33-25-24(34-35-36(25)2)20-8-6-18(7-9-20)19-10-12-22(13-11-19)28(14-15-28)26(37)38/h3-13,16-17H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t17-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398094
PNG
(CHEMBL2182044 | US9321738, 11)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1F)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H25FN4O4/c1-17(18-6-4-3-5-7-18)37-27(36)30-25-24(31-32-33(25)2)22-13-10-20(16-23(22)29)19-8-11-21(12-9-19)28(14-15-28)26(34)35/h3-13,16-17H,14-15H2,1-2H3,(H,30,36)(H,34,35)/t17-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398091
PNG
(CHEMBL2182049 | US9321738, 12)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C29H29N5O5S/c1-19(20-7-5-4-6-8-20)39-28(36)30-26-25(31-33-34(26)2)23-11-9-21(10-12-23)22-13-15-24(16-14-22)29(17-18-29)27(35)32-40(3,37)38/h4-16,19H,17-18H2,1-3H3,(H,30,36)(H,32,35)/t19-/m1/s1
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n/an/a 18.8n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398090
PNG
(CHEMBL2182050 | US9321738, 13)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H28F3N5O5S/c1-18(22-5-4-6-24(17-22)30(31,32)33)43-28(40)34-26-25(35-37-38(26)2)21-9-7-19(8-10-21)20-11-13-23(14-12-20)29(15-16-29)27(39)36-44(3,41)42/h4-14,17-18H,15-16H2,1-3H3,(H,34,40)(H,36,39)/t18-/m1/s1
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n/an/a 24.5n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM223530
PNG
(US9321738, 4)
Show SMILES CC(OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N4O4/c1-17(21-4-3-5-23(16-21)29(30,31)32)40-27(39)33-25-24(34-35-36(25)2)20-8-6-18(7-9-20)19-10-12-22(13-11-19)28(14-15-28)26(37)38/h3-13,16-17H,14-15H2,1-2H3,(H,33,39)(H,37,38)
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n/an/a 46n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398096
PNG
(CHEMBL2182042 | US9321738, 3)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H24N4O4/c1-17(19-6-4-3-5-7-19)34-26(33)27-25-24(28-29-30(25)2)22-14-12-21(13-15-22)20-10-8-18(9-11-20)16-23(31)32/h3-15,17H,16H2,1-2H3,(H,27,33)(H,31,32)/t17-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398089
PNG
(CHEMBL2182051 | US9321738, 14)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)C1CCC(CC(O)=O)CC1)c1ccccc1
Show InChI InChI=1S/C26H30N4O4/c1-17(19-6-4-3-5-7-19)34-26(33)27-25-24(28-29-30(25)2)22-14-12-21(13-15-22)20-10-8-18(9-11-20)16-23(31)32/h3-7,12-15,17-18,20H,8-11,16H2,1-2H3,(H,27,33)(H,31,32)/t17-,18?,20?/m1/s1
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n/an/a 58n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398090
PNG
(CHEMBL2182050 | US9321738, 13)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H28F3N5O5S/c1-18(22-5-4-6-24(17-22)30(31,32)33)43-28(40)34-26-25(35-37-38(26)2)21-9-7-19(8-10-21)20-11-13-23(14-12-20)29(15-16-29)27(39)36-44(3,41)42/h4-14,17-18H,15-16H2,1-3H3,(H,34,40)(H,36,39)/t18-/m1/s1
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n/an/a 65.7n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398112
PNG
(CHEMBL2182045 | US9321738, 7)
Show SMILES CC(C)[C@@H](C)OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O
Show InChI InChI=1S/C25H28N4O4/c1-15(2)16(3)33-24(32)26-22-21(27-28-29(22)4)19-7-5-17(6-8-19)18-9-11-20(12-10-18)25(13-14-25)23(30)31/h5-12,15-16H,13-14H2,1-4H3,(H,26,32)(H,30,31)/t16-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398093
PNG
(CHEMBL2182046 | US9321738, 6)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N4O4/c1-17(21-4-3-5-23(16-21)29(30,31)32)40-27(39)33-25-24(34-35-36(25)2)20-8-6-18(7-9-20)19-10-12-22(13-11-19)28(14-15-28)26(37)38/h3-13,16-17H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t17-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM223530
PNG
(US9321738, 4)
Show SMILES CC(OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N4O4/c1-17(21-4-3-5-23(16-21)29(30,31)32)40-27(39)33-25-24(34-35-36(25)2)20-8-6-18(7-9-20)19-10-12-22(13-11-19)28(14-15-28)26(37)38/h3-13,16-17H,14-15H2,1-2H3,(H,33,39)(H,37,38)
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n/an/a 279n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398095
PNG
(CHEMBL2182043 | US9321738, 2)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O4/c1-18(19-6-4-3-5-7-19)36-27(35)29-25-24(30-31-32(25)2)22-10-8-20(9-11-22)21-12-14-23(15-13-21)28(16-17-28)26(33)34/h3-15,18H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
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n/an/a 2.29E+3n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398091
PNG
(CHEMBL2182049 | US9321738, 12)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C29H29N5O5S/c1-19(20-7-5-4-6-8-20)39-28(36)30-26-25(31-33-34(26)2)23-11-9-21(10-12-23)22-13-15-24(16-14-22)29(17-18-29)27(35)32-40(3,37)38/h4-16,19H,17-18H2,1-3H3,(H,30,36)(H,32,35)/t19-/m1/s1
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n/an/a 2.31E+3n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50398092
PNG
(CHEMBL2182047 | US9321738, 5)
Show SMILES C[C@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N4O4/c1-17(21-4-3-5-23(16-21)29(30,31)32)40-27(39)33-25-24(34-35-36(25)2)20-8-6-18(7-9-20)19-10-12-22(13-11-19)28(14-15-28)26(37)38/h3-13,16-17H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t17-/m0/s1
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n/an/a 2.66E+3n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM223532
PNG
(US9321738, 9)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1cccc(c1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O4/c1-18(19-7-4-3-5-8-19)36-27(35)29-25-24(30-31-32(25)2)21-13-11-20(12-14-21)22-9-6-10-23(17-22)28(15-16-28)26(33)34/h3-14,17-18H,15-16H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
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n/an/a 4.45E+3n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398092
PNG
(CHEMBL2182047 | US9321738, 5)
Show SMILES C[C@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N4O4/c1-17(21-4-3-5-23(16-21)29(30,31)32)40-27(39)33-25-24(34-35-36(25)2)20-8-6-18(7-9-20)19-10-12-22(13-11-19)28(14-15-28)26(37)38/h3-13,16-17H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t17-/m0/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM223532
PNG
(US9321738, 9)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1cccc(c1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O4/c1-18(19-7-4-3-5-8-19)36-27(35)29-25-24(30-31-32(25)2)21-13-11-20(12-14-21)22-9-6-10-23(17-22)28(15-16-28)26(33)34/h3-14,17-18H,15-16H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
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n/an/a 1.84E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398089
PNG
(CHEMBL2182051 | US9321738, 14)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)C1CCC(CC(O)=O)CC1)c1ccccc1
Show InChI InChI=1S/C26H30N4O4/c1-17(19-6-4-3-5-7-19)34-26(33)27-25-24(28-29-30(25)2)22-14-12-21(13-15-22)20-10-8-18(9-11-20)16-23(31)32/h3-7,12-15,17-18,20H,8-11,16H2,1-2H3,(H,27,33)(H,31,32)/t17-,18?,20?/m1/s1
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n/an/a 1.86E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM223529
PNG
(US9321738, 1)
Show SMILES C[C@@H](OC(=O)Cc1c(nnn1C)-c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C19H18BrN3O2/c1-13(14-6-4-3-5-7-14)25-18(24)12-17-19(21-22-23(17)2)15-8-10-16(20)11-9-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1
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n/an/a 2.19E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398096
PNG
(CHEMBL2182042 | US9321738, 3)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H24N4O4/c1-17(19-6-4-3-5-7-19)34-26(33)27-25-24(28-29-30(25)2)22-14-12-21(13-15-22)20-10-8-18(9-11-20)16-23(31)32/h3-15,17H,16H2,1-2H3,(H,27,33)(H,31,32)/t17-/m1/s1
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n/an/a 2.19E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398094
PNG
(CHEMBL2182044 | US9321738, 11)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1F)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H25FN4O4/c1-17(18-6-4-3-5-7-18)37-27(36)30-25-24(31-32-33(25)2)22-13-10-20(16-23(22)29)19-8-11-21(12-9-19)28(14-15-28)26(34)35/h3-13,16-17H,14-15H2,1-2H3,(H,30,36)(H,34,35)/t17-/m1/s1
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n/an/a 2.74E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM223533
PNG
(US9321738, 10)
Show SMILES COC(=O)C1(CC1)c1ccc(cc1)-c1ccc(-c2nnn(C)c2NC(=O)O[C@H](C)c2ccccc2)c(F)c1
Show InChI InChI=1S/C29H27FN4O4/c1-18(19-7-5-4-6-8-19)38-28(36)31-26-25(32-33-34(26)2)23-14-11-21(17-24(23)30)20-9-12-22(13-10-20)29(15-16-29)27(35)37-3/h4-14,17-18H,15-16H2,1-3H3,(H,31,36)/t18-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM223533
PNG
(US9321738, 10)
Show SMILES COC(=O)C1(CC1)c1ccc(cc1)-c1ccc(-c2nnn(C)c2NC(=O)O[C@H](C)c2ccccc2)c(F)c1
Show InChI InChI=1S/C29H27FN4O4/c1-18(19-7-5-4-6-8-19)38-28(36)31-26-25(32-33-34(26)2)23-14-11-21(17-24(23)30)20-9-12-22(13-10-20)29(15-16-29)27(35)37-3/h4-14,17-18H,15-16H2,1-3H3,(H,31,36)/t18-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398112
PNG
(CHEMBL2182045 | US9321738, 7)
Show SMILES CC(C)[C@@H](C)OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O
Show InChI InChI=1S/C25H28N4O4/c1-15(2)16(3)33-24(32)26-22-21(27-28-29(22)4)19-7-5-17(6-8-19)18-9-11-20(12-10-18)25(13-14-25)23(30)31/h5-12,15-16H,13-14H2,1-4H3,(H,26,32)(H,30,31)/t16-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM223531
PNG
(US9321738, 8)
Show SMILES C[C@@H](OC(=O)Nc1nnn(C)c1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O4/c1-18(19-6-4-3-5-7-19)36-27(35)29-25-24(32(2)31-30-25)22-10-8-20(9-11-22)21-12-14-23(15-13-21)28(16-17-28)26(33)34/h3-15,18H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM223531
PNG
(US9321738, 8)
Show SMILES C[C@@H](OC(=O)Nc1nnn(C)c1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O4/c1-18(19-6-4-3-5-7-19)36-27(35)29-25-24(32(2)31-30-25)22-10-8-20(9-11-22)21-12-14-23(15-13-21)28(16-17-28)26(33)34/h3-15,18H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


Citation and Details
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM223529
PNG
(US9321738, 1)
Show SMILES C[C@@H](OC(=O)Cc1c(nnn1C)-c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C19H18BrN3O2/c1-13(14-6-4-3-5-7-14)25-18(24)12-17-19(21-22-23(17)2)15-8-10-16(20)11-9-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



HOFFMAN-LA ROCHE INC.

US Patent


Assay Description
Test compounds were prepared by adding 90 μL of HBSS/20 mM HEPES/0.1% BSA buffer to 2 μL of serially diluted compounds. To prepare serial dilut...


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