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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 4 (GPR4)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123511
PNG
(US8748435, 36)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C25H30N6O/c1-4-22-21(23-27-15(2)13-16(3)31(23)30-22)14-17-5-7-18(8-6-17)24-28-29-25(32-24)19-9-11-20(26)12-10-19/h5-8,13,19-20H,4,9-12,14,26H2,1-3H3/t19-,20-
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n/an/a 5n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123488
PNG
(US8748435, 13)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(C)[C@@H](CN(C)C)C2)cc1
Show InChI InChI=1S/C28H40N6/c1-7-27-26(28-29-21(2)17-22(3)34(28)30-27)18-24-12-10-23(11-13-24)9-8-14-33-16-15-32(6)25(20-33)19-31(4)5/h8-13,17,25H,7,14-16,18-20H2,1-6H3/b9-8+/t25-/m0/s1
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n/an/a 7n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123489
PNG
(US8748435, 14)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCNCC2)cc1
Show InChI InChI=1S/C24H31N5/c1-4-23-22(24-26-18(2)16-19(3)29(24)27-23)17-21-9-7-20(8-10-21)6-5-13-28-14-11-25-12-15-28/h5-10,16,25H,4,11-15,17H2,1-3H3/b6-5+
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n/an/a 10n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123514
PNG
(US8748435, 39)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C27H39N5/c1-6-26-25(27-28-21(4)18-22(5)32(27)29-26)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h9-12,18,20H,6-8,13-17,19H2,1-5H3
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n/an/a 13n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123480
PNG
(US8748435, 5)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\C[C@]2(O)CCN[C@@H](C)C2)cc1
Show InChI InChI=1S/C26H34N4O/c1-5-24-23(25-28-18(2)15-20(4)30(25)29-24)16-22-10-8-21(9-11-22)7-6-12-26(31)13-14-27-19(3)17-26/h6-11,15,19,27,31H,5,12-14,16-17H2,1-4H3/b7-6+/t19-,26-/m0/s1
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n/an/a 15n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123513
PNG
(US8748435, 38)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)C1CCN(CC1)C(=O)[C@H](CO)NC
Show InChI InChI=1S/C28H35N7O3/c1-5-23-22(25-30-17(2)14-18(3)35(25)33-23)15-19-6-8-20(9-7-19)26-31-32-27(38-26)21-10-12-34(13-11-21)28(37)24(16-36)29-4/h6-9,14,21,24,29,36H,5,10-13,15-16H2,1-4H3/t24-/m0/s1
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123497
PNG
(US8748435, 22)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCN(CC2)C(=O)[C@H]2NCC[C@H]2O)cc1
Show InChI InChI=1S/C28H37N5O3/c1-4-24-23(27-30-18(2)15-19(3)33(27)31-24)16-20-5-7-22(8-6-20)36-17-21-10-13-32(14-11-21)28(35)26-25(34)9-12-29-26/h5-8,15,21,25-26,29,34H,4,9-14,16-17H2,1-3H3/t25-,26+/m1/s1
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n/an/a 19n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123484
PNG
(US8748435, 9)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN[C@@H](C)C2)cc1
Show InChI InChI=1S/C25H33N5/c1-5-24-23(25-27-18(2)15-20(4)30(25)28-24)16-22-10-8-21(9-11-22)7-6-13-29-14-12-26-19(3)17-29/h6-11,15,19,26H,5,12-14,16-17H2,1-4H3/b7-6+/t19-/m0/s1
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123504
PNG
(US8748435, 29)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CC(N)C2)cn1
Show InChI InChI=1S/C24H29N7/c1-4-23-22(24-27-16(2)9-17(3)31(24)28-23)10-18-5-7-21(8-6-18)30-13-19(11-26-30)12-29-14-20(25)15-29/h5-9,11,13,20H,4,10,12,14-15,25H2,1-3H3
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n/an/a 21n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123496
PNG
(US8748435, 21)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCC2CCNCC2)cc1
Show InChI InChI=1S/C23H30N4O/c1-4-22-21(23-25-16(2)13-17(3)27(23)26-22)14-18-5-7-20(8-6-18)28-15-19-9-11-24-12-10-19/h5-8,13,19,24H,4,9-12,14-15H2,1-3H3
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n/an/a 22n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123481
PNG
(US8748435, 6)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CC2(O)CCN(C[C@@H](O)CO)CC2)cc1
Show InChI InChI=1S/C28H38N4O3/c1-4-26-25(27-29-20(2)16-21(3)32(27)30-26)17-23-9-7-22(8-10-23)6-5-11-28(35)12-14-31(15-13-28)18-24(34)19-33/h5-10,16,24,33-35H,4,11-15,17-19H2,1-3H3/b6-5+/t24-/m1/s1
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n/an/a 24n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123505
PNG
(US8748435, 30)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CCC(N)CC2)cn1
Show InChI InChI=1S/C26H33N7/c1-4-25-24(26-29-18(2)13-19(3)33(26)30-25)14-20-5-7-23(8-6-20)32-17-21(15-28-32)16-31-11-9-22(27)10-12-31/h5-8,13,15,17,22H,4,9-12,14,16,27H2,1-3H3
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n/an/a 26n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123483
PNG
(US8748435, 8)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN[C@H](CO)C2)cc1
Show InChI InChI=1S/C25H33N5O/c1-4-24-23(25-27-18(2)14-19(3)30(25)28-24)15-21-9-7-20(8-10-21)6-5-12-29-13-11-26-22(16-29)17-31/h5-10,14,22,26,31H,4,11-13,15-17H2,1-3H3/b6-5+/t22-/m0/s1
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n/an/a 28n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123492
PNG
(US8748435, 17)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(C[C@@H](O)CO[Si](C)(C)C(C)(C)C)CC2)cc1
Show InChI InChI=1S/C33H51N5O2Si/c1-9-31-30(32-34-25(2)21-26(3)38(32)35-31)22-28-14-12-27(13-15-28)11-10-16-36-17-19-37(20-18-36)23-29(39)24-40-41(7,8)33(4,5)6/h10-15,21,29,39H,9,16-20,22-24H2,1-8H3/b11-10+/t29-/m1/s1
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123485
PNG
(US8748435, 10)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN[C@H](COC)C2)cc1
Show InChI InChI=1S/C26H35N5O/c1-5-25-24(26-28-19(2)15-20(3)31(26)29-25)16-22-10-8-21(9-11-22)7-6-13-30-14-12-27-23(17-30)18-32-4/h6-11,15,23,27H,5,12-14,16-18H2,1-4H3/b7-6+/t23-/m0/s1
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n/an/a 33n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123487
PNG
(US8748435, 12)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCC(CC2)c2nnnn2C)cc1
Show InChI InChI=1S/C27H34N8/c1-5-25-24(27-28-19(2)17-20(3)35(27)30-25)18-22-10-8-21(9-11-22)7-6-14-34-15-12-23(13-16-34)26-29-31-32-33(26)4/h6-11,17,23H,5,12-16,18H2,1-4H3/b7-6+
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123482
PNG
(US8748435, 7)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CC2(O)CCN(CC2)C(=O)CN(C)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C33H45N5O4/c1-8-28-27(30-34-23(2)20-24(3)38(30)35-28)21-26-13-11-25(12-14-26)10-9-15-33(41)16-18-37(19-17-33)29(39)22-36(7)31(40)42-32(4,5)6/h9-14,20,41H,8,15-19,21-22H2,1-7H3/b10-9+
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123477
PNG
(US8748435, 2)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CC2(O)CN(C2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C28H36N4O3/c1-7-24-23(25-29-19(2)15-20(3)32(25)30-24)16-22-12-10-21(11-13-22)9-8-14-28(34)17-31(18-28)26(33)35-27(4,5)6/h8-13,15,34H,7,14,16-18H2,1-6H3/b9-8+
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123491
PNG
(US8748435, 16)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(CC2)C(=O)[C@H]2NCC[C@H]2O)cc1
Show InChI InChI=1S/C29H38N6O2/c1-4-25-24(28-31-20(2)18-21(3)35(28)32-25)19-23-9-7-22(8-10-23)6-5-13-33-14-16-34(17-15-33)29(37)27-26(36)11-12-30-27/h5-10,18,26-27,30,36H,4,11-17,19H2,1-3H3/b6-5+/t26-,27+/m1/s1
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123498
PNG
(US8748435, 23)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@@H]2CC[C@H](N)CC2)cc1
Show InChI InChI=1S/C24H32N4O/c1-4-23-22(24-26-16(2)13-17(3)28(24)27-23)14-18-7-11-21(12-8-18)29-15-19-5-9-20(25)10-6-19/h7-8,11-13,19-20H,4-6,9-10,14-15,25H2,1-3H3/t19-,20+
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123486
PNG
(US8748435, 11)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(CC2)C(=O)CN)cc1
Show InChI InChI=1S/C26H34N6O/c1-4-24-23(26-28-19(2)16-20(3)32(26)29-24)17-22-9-7-21(8-10-22)6-5-11-30-12-14-31(15-13-30)25(33)18-27/h5-10,16H,4,11-15,17-18,27H2,1-3H3/b6-5+
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n/an/a 38n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123508
PNG
(US8748435, 33)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CCNCC2)nn1
Show InChI InChI=1S/C24H30N8/c1-4-23-22(24-26-17(2)13-18(3)32(24)28-23)14-19-5-7-21(8-6-19)31-16-20(27-29-31)15-30-11-9-25-10-12-30/h5-8,13,16,25H,4,9-12,14-15H2,1-3H3
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123506
PNG
(US8748435, 31)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CCNCC2)cn1
Show InChI InChI=1S/C25H31N7/c1-4-24-23(25-28-18(2)13-19(3)32(25)29-24)14-20-5-7-22(8-6-20)31-17-21(15-27-31)16-30-11-9-26-10-12-30/h5-8,13,15,17,26H,4,9-12,14,16H2,1-3H3
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n/an/a 43n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123478
PNG
(US8748435, 3)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CC2(O)CCNCC2)cc1
Show InChI InChI=1S/C25H32N4O/c1-4-23-22(24-27-18(2)16-19(3)29(24)28-23)17-21-9-7-20(8-10-21)6-5-11-25(30)12-14-26-15-13-25/h5-10,16,26,30H,4,11-15,17H2,1-3H3/b6-5+
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n/an/a 44n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123501
PNG
(US8748435, 26)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCN2CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C28H39N5O3/c1-7-25-24(26-29-20(2)18-21(3)33(26)30-25)19-22-8-10-23(11-9-22)35-17-16-31-12-14-32(15-13-31)27(34)36-28(4,5)6/h8-11,18H,7,12-17,19H2,1-6H3
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123476
PNG
(US8748435, 1)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\C2(O)CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C29H38N4O3/c1-7-25-24(26-30-20(2)18-21(3)33(26)31-25)19-23-10-8-22(9-11-23)12-13-29(35)14-16-32(17-15-29)27(34)36-28(4,5)6/h8-13,18,35H,7,14-17,19H2,1-6H3/b13-12+
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123479
PNG
(US8748435, 4)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C30H42N4O3/c1-7-26-25(27-31-21(2)19-22(3)34(27)32-26)20-24-12-10-23(11-13-24)9-8-14-30(36)15-17-33(18-16-30)28(35)37-29(4,5)6/h10-13,19,36H,7-9,14-18,20H2,1-6H3
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n/an/a 47n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123490
PNG
(US8748435, 15)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(CC2)C(=O)[C@H](CO)NC)cc1
Show InChI InChI=1S/C28H38N6O2/c1-5-25-24(27-30-20(2)17-21(3)34(27)31-25)18-23-10-8-22(9-11-23)7-6-12-32-13-15-33(16-14-32)28(36)26(19-35)29-4/h6-11,17,26,29,35H,5,12-16,18-19H2,1-4H3/b7-6+/t26-/m0/s1
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123499
PNG
(US8748435, 24)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@H]2CC[C@H](CC2)NC(=O)[C@H]2NCC[C@H]2O)cc1
Show InChI InChI=1S/C29H39N5O3/c1-4-25-24(28-31-18(2)15-19(3)34(28)33-25)16-20-7-11-23(12-8-20)37-17-21-5-9-22(10-6-21)32-29(36)27-26(35)13-14-30-27/h7-8,11-12,15,21-22,26-27,30,35H,4-6,9-10,13-14,16-17H2,1-3H3,(H,32,36)/t21-,22+,26-,27+/m1/s1
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123494
PNG
(US8748435, 19)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C29H39N5O3/c1-7-25-24(27-30-20(2)18-21(3)34(27)31-25)19-23-10-8-22(9-11-23)12-13-26(35)32-14-16-33(17-15-32)28(36)37-29(4,5)6/h8-11,18H,7,12-17,19H2,1-6H3
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123515
PNG
(US8748435, 40)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C27H37N5/c1-6-25-29-26-21(4)18-22(5)28-27(26)32(25)19-24-11-9-23(10-12-24)8-7-13-30-14-16-31(17-15-30)20(2)3/h7-12,18,20H,6,13-17,19H2,1-5H3/b8-7+
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123502
PNG
(US8748435, 27)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCN2CCN[C@@H](COC)C2)cc1
Show InChI InChI=1S/C25H35N5O2/c1-5-24-23(25-27-18(2)14-19(3)30(25)28-24)15-20-6-8-22(9-7-20)32-13-12-29-11-10-26-21(16-29)17-31-4/h6-9,14,21,26H,5,10-13,15-17H2,1-4H3/t21-/m1/s1
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM50175290
PNG
(CHEMBL3810385)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccc(CN4CCCCC4)cc3CCc2c1
Show InChI InChI=1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3
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n/an/a 67n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...


ACS Med Chem Lett 7: 493-7 (2016)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123510
PNG
(US8748435, 35)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)C1CCNCC1
Show InChI InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123509
PNG
(US8748435, 34)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CC2(O)CCN(CC2)C(=O)OC(C)(C)C)nn1
Show InChI InChI=1S/C30H39N7O3/c1-7-26-25(27-31-20(2)16-21(3)37(27)33-26)17-22-8-10-24(11-9-22)36-19-23(32-34-36)18-30(39)12-14-35(15-13-30)28(38)40-29(4,5)6/h8-11,16,19,39H,7,12-15,17-18H2,1-6H3
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123493
PNG
(US8748435, 18)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\C(=O)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H31N5O/c1-5-23-22(25-26-18(2)16-19(3)30(25)27-23)17-21-8-6-20(7-9-21)10-11-24(31)29-14-12-28(4)13-15-29/h6-11,16H,5,12-15,17H2,1-4H3/b11-10+
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123500
PNG
(US8748435, 25)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCC2(O)CCNCC2)cc1
Show InChI InChI=1S/C24H32N4O2/c1-4-22-21(23-26-17(2)15-18(3)28(23)27-22)16-19-5-7-20(8-6-19)30-14-11-24(29)9-12-25-13-10-24/h5-8,15,25,29H,4,9-14,16H2,1-3H3
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM123503
PNG
(US8748435, 28)
Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-n1cc(CN2CC(O)C2)cn1
Show InChI InChI=1S/C24H28N6O/c1-4-23-22(24-26-16(2)9-17(3)30(24)27-23)10-18-5-7-20(8-6-18)29-13-19(11-25-29)12-28-14-21(31)15-28/h5-9,11,13,21,31H,4,10,12,14-15H2,1-3H3
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Novartis AG

US Patent


Assay Description
Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...


US Patent US8748435 (2014)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM50175288
PNG
(CHEMBL3809413)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccc(CN4CCN(C)CC4)cc3CCc2c1
Show InChI InChI=1S/C31H38N6/c1-5-29-34-30-21(2)16-22(3)32-31(30)37(29)20-24-7-11-28-26(18-24)9-8-25-17-23(6-10-27(25)33-28)19-36-14-12-35(4)13-15-36/h6-7,10-11,16-18,33H,5,8-9,12-15,19-20H2,1-4H3
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n/an/a 130n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...


ACS Med Chem Lett 7: 493-7 (2016)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM50175289
PNG
(CHEMBL3810032)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccccc3CCc2c1
Show InChI InChI=1S/C25H26N4/c1-4-23-28-24-16(2)13-17(3)26-25(24)29(23)15-18-9-12-22-20(14-18)11-10-19-7-5-6-8-21(19)27-22/h5-9,12-14,27H,4,10-11,15H2,1-3H3
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n/an/a 900n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...


ACS Med Chem Lett 7: 493-7 (2016)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM50175293
PNG
(CHEMBL3808576)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2Nc3ccccc3Sc2c1
Show InChI InChI=1S/C23H22N4S/c1-4-21-26-22-14(2)11-15(3)24-23(22)27(21)13-16-9-10-18-20(12-16)28-19-8-6-5-7-17(19)25-18/h5-12,25H,4,13H2,1-3H3
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n/an/a 910n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...


ACS Med Chem Lett 7: 493-7 (2016)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM50175292
PNG
(CHEMBL3810150)
Show SMILES C(c1ccc2Nc3ccccc3CCc2c1)n1cnc2ccccc12
Show InChI InChI=1S/C22H19N3/c1-2-6-19-17(5-1)10-11-18-13-16(9-12-20(18)24-19)14-25-15-23-21-7-3-4-8-22(21)25/h1-9,12-13,15,24H,10-11,14H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...


ACS Med Chem Lett 7: 493-7 (2016)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM50175294
PNG
(CHEMBL3727521)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C23H24N4/c1-4-21-26-22-16(2)14-17(3)24-23(22)27(21)15-18-10-12-20(13-11-18)25-19-8-6-5-7-9-19/h5-14,25H,4,15H2,1-3H3
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UniChem

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...


ACS Med Chem Lett 7: 493-7 (2016)

More data for this
Ligand-Target Pair
G-protein coupled receptor 4 (GPR4)


(Homo sapiens (Human))
BDBM50175291
PNG
(CHEMBL3809249)
Show SMILES CCc1nc2ccccc2n1Cc1ccc2Nc3ccccc3CCc2c1
Show InChI InChI=1S/C24H23N3/c1-2-24-26-22-9-5-6-10-23(22)27(24)16-17-11-14-21-19(15-17)13-12-18-7-3-4-8-20(18)25-21/h3-11,14-15,25H,2,12-13,16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response elem...


ACS Med Chem Lett 7: 493-7 (2016)

More data for this
Ligand-Target Pair