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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'gonzalez-lopez' and Initial = 'm'   
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
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332546
PNG
((2E)-1-{7-[(2E)-3-(4-bromophenyl)prop-2-enoyl]-2,7...)
Show SMILES Brc1ccc(\C=C\C(=O)N2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H24Br2N2O2/c26-21-7-1-19(2-8-21)5-11-23(30)28-15-13-25(14-16-28)17-29(18-25)24(31)12-6-20-3-9-22(27)10-4-20/h1-12H,13-18H2/b11-5+,12-6+
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n/an/a<5n/an/an/an/an/an/a



SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332547
PNG
((2E)-3-(4-bromophenyl)-1-{7-[(3-bromophenyl)carbon...)
Show SMILES Brc1ccc(\C=C\C(=O)N2CC3(C2)CCN(CC3)C(=O)c2cccc(Br)c2)cc1
Show InChI InChI=1S/C23H22Br2N2O2/c24-19-7-4-17(5-8-19)6-9-21(28)27-15-23(16-27)10-12-26(13-11-23)22(29)18-2-1-3-20(25)14-18/h1-9,14H,10-13,15-16H2/b9-6+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332549
PNG
(5-chloroindol-2-yl 2-[(3-fluorophenyl)methyl]-2,7-...)
Show SMILES Fc1cccc(CN2CC3(C2)CCN(CC3)C(=O)c2cc3cc(Cl)ccc3[nH]2)c1
Show InChI InChI=1S/C23H23ClFN3O/c24-18-4-5-20-17(11-18)12-21(26-20)22(29)28-8-6-23(7-9-28)14-27(15-23)13-16-2-1-3-19(25)10-16/h1-5,10-12,26H,6-9,13-15H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332550
PNG
(5-chloroindol-2-yl 2-[(4-fluorophenyl)carbonyl]-2,...)
Show SMILES Fc1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H21ClFN3O2/c24-17-3-6-19-16(11-17)12-20(26-19)22(30)27-9-7-23(8-10-27)13-28(14-23)21(29)15-1-4-18(25)5-2-15/h1-6,11-12,26H,7-10,13-14H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332551
PNG
((2E)-3-(4-bromophenyl)-1-{2-[(4-chlorophenyl)methy...)
Show SMILES Clc1ccc(CN2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H24BrClN2O/c24-20-6-1-18(2-7-20)5-10-22(28)27-13-11-23(12-14-27)16-26(17-23)15-19-3-8-21(25)9-4-19/h1-10H,11-17H2/b10-5+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332552
PNG
((2E)-3-(4-bromophenyl)-1-[2-(phenylcarbonyl)-2,7-d...)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCC3(CN(C3)C(=O)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C23H23BrN2O2/c24-20-9-6-18(7-10-20)8-11-21(27)25-14-12-23(13-15-25)16-26(17-23)22(28)19-4-2-1-3-5-19/h1-11H,12-17H2/b11-8+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332553
PNG
((2E)-3-(4-bromophenyl)-1-{2-[(4-fluorophenyl)methy...)
Show SMILES Fc1ccc(CN2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H24BrFN2O/c24-20-6-1-18(2-7-20)5-10-22(28)27-13-11-23(12-14-27)16-26(17-23)15-19-3-8-21(25)9-4-19/h1-10H,11-17H2/b10-5+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332554
PNG
((2E)-1-{2-[(3,4-dimethoxyphenyl)carbonyl]-2,7-diaz...)
Show SMILES COc1ccc(cc1OC)C(=O)N1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C25H27BrN2O4/c1-31-21-9-6-19(15-22(21)32-2)24(30)28-16-25(17-28)11-13-27(14-12-25)23(29)10-5-18-3-7-20(26)8-4-18/h3-10,15H,11-14,16-17H2,1-2H3/b10-5+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332555
PNG
((2E)-1-{2-[(3,5-dichlorophenyl)carbonyl]-2,7-diaza...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)N1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C23H21BrCl2N2O2/c24-18-4-1-16(2-5-18)3-6-21(29)27-9-7-23(8-10-27)14-28(15-23)22(30)17-11-19(25)13-20(26)12-17/h1-6,11-13H,7-10,14-15H2/b6-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332556
PNG
((2E)-1-{2-[(2,6-dichlorophenyl)methyl]-2,7-diazasp...)
Show SMILES Clc1cccc(Cl)c1CN1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C23H23BrCl2N2O/c24-18-7-4-17(5-8-18)6-9-22(29)28-12-10-23(11-13-28)15-27(16-23)14-19-20(25)2-1-3-21(19)26/h1-9H,10-16H2/b9-6+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332557
PNG
((2E)-3-(4-bromophenyl)-1-{2-[(3-methylphenyl)carbo...)
Show SMILES Cc1cccc(c1)C(=O)N1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C24H25BrN2O2/c1-18-3-2-4-20(15-18)23(29)27-16-24(17-27)11-13-26(14-12-24)22(28)10-7-19-5-8-21(25)9-6-19/h2-10,15H,11-14,16-17H2,1H3/b10-7+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332562
PNG
(5-chloroindol-2-yl 2-[(4-fluorophenyl)methyl]-2,7-...)
Show SMILES Fc1ccc(CN2CC3(C2)CCN(CC3)C(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C23H23ClFN3O/c24-18-3-6-20-17(11-18)12-21(26-20)22(29)28-9-7-23(8-10-28)14-27(15-23)13-16-1-4-19(25)5-2-16/h1-6,11-12,26H,7-10,13-15H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332563
PNG
(5-chloroindol-2-yl 7-{[3-fluoro-4-(trifluoromethyl...)
Show SMILES Fc1cc(ccc1C(F)(F)F)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
Show InChI InChI=1S/C24H20ClF4N3O2/c25-16-2-4-19-15(9-16)11-20(30-19)22(34)32-12-23(13-32)5-7-31(8-6-23)21(33)14-1-3-17(18(26)10-14)24(27,28)29/h1-4,9-11,30H,5-8,12-13H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332564
PNG
((2E)-3-(4-bromophenyl)-1-{7-[(4-chlorophenyl)carbo...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C23H22BrClN2O2/c24-19-6-1-17(2-7-19)3-10-21(28)27-15-23(16-27)11-13-26(14-12-23)22(29)18-4-8-20(25)9-5-18/h1-10H,11-16H2/b10-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332565
PNG
((2E)-3-(4-bromophenyl)-1-{7-[(4-fluorophenyl)carbo...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C23H22BrFN2O2/c24-19-6-1-17(2-7-19)3-10-21(28)27-15-23(16-27)11-13-26(14-12-23)22(29)18-4-8-20(25)9-5-18/h1-10H,11-16H2/b10-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332566
PNG
((2E)-3-(4-bromophenyl)-1-(7-{[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C24H22BrF3N2O2/c25-20-8-1-17(2-9-20)3-10-21(31)30-15-23(16-30)11-13-29(14-12-23)22(32)18-4-6-19(7-5-18)24(26,27)28/h1-10H,11-16H2/b10-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332567
PNG
((2E)-3-(4-bromophenyl)-1-(7-{[4-fluoro-3-(trifluor...)
Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C24H21BrF4N2O2/c25-18-5-1-16(2-6-18)3-8-21(32)31-14-23(15-31)9-11-30(12-10-23)22(33)17-4-7-20(26)19(13-17)24(27,28)29/h1-8,13H,9-12,14-15H2/b8-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332573
PNG
((2E)-3-(3,4-dichlorophenyl)-1-{7-[(4-fluorophenyl)...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C23H21Cl2FN2O2/c24-19-7-1-16(13-20(19)25)2-8-21(29)28-14-23(15-28)9-11-27(12-10-23)22(30)17-3-5-18(26)6-4-17/h1-8,13H,9-12,14-15H2/b8-2+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332574
PNG
((2E)-3-(3,4-dichlorophenyl)-1-{7-[(4-chlorophenyl)...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C23H21Cl3N2O2/c24-18-5-3-17(4-6-18)22(30)27-11-9-23(10-12-27)14-28(15-23)21(29)8-2-16-1-7-19(25)20(26)13-16/h1-8,13H,9-12,14-15H2/b8-2+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332575
PNG
((2E)-3-(3,4-dichlorophenyl)-1-(7-{[4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C24H21Cl2F3N2O2/c25-19-7-1-16(13-20(19)26)2-8-21(32)31-14-23(15-31)9-11-30(12-10-23)22(33)17-3-5-18(6-4-17)24(27,28)29/h1-8,13H,9-12,14-15H2/b8-2+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332580
PNG
((2E)-1-{2-[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl...)
Show SMILES Clc1ccc(\C=C\C(=O)N2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C25H22Cl4N2O2/c26-19-5-1-17(13-21(19)28)3-7-23(32)30-11-9-25(10-12-30)15-31(16-25)24(33)8-4-18-2-6-20(27)22(29)14-18/h1-8,13-14H,9-12,15-16H2/b7-3+,8-4+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332584
PNG
(5-chloroindol-2-yl 7-{[4-(trifluoromethyl)phenyl]c...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
Show InChI InChI=1S/C24H21ClF3N3O2/c25-18-5-6-19-16(11-18)12-20(29-19)22(33)31-13-23(14-31)7-9-30(10-8-23)21(32)15-1-3-17(4-2-15)24(26,27)28/h1-6,11-12,29H,7-10,13-14H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332585
PNG
(5-chloroindol-2-yl 7-[(4-chlorophenyl)carbonyl]-2,...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
Show InChI InChI=1S/C23H21Cl2N3O2/c24-17-3-1-15(2-4-17)21(29)27-9-7-23(8-10-27)13-28(14-23)22(30)20-12-16-11-18(25)5-6-19(16)26-20/h1-6,11-12,26H,7-10,13-14H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332588
PNG
(4-({2-[(2E)-3-(4-bromophenyl)prop-2-enoyl]-2,7-dia...)
Show SMILES Fc1cc(ccc1C#N)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C24H21BrFN3O2/c25-20-6-1-17(2-7-20)3-8-22(30)29-15-24(16-29)9-11-28(12-10-24)23(31)18-4-5-19(14-27)21(26)13-18/h1-8,13H,9-12,15-16H2/b8-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332589
PNG
((2E)-1-{7-[(3,5-difluorophenyl)carbonyl]-2,7-diaza...)
Show SMILES Fc1cc(F)cc(c1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C23H21BrF2N2O2/c24-18-4-1-16(2-5-18)3-6-21(29)28-14-23(15-28)7-9-27(10-8-23)22(30)17-11-19(25)13-20(26)12-17/h1-6,11-13H,7-10,14-15H2/b6-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332590
PNG
((2E)-3-(4-bromophenyl)-1-(7-{[4-fluoro-2-(trifluor...)
Show SMILES Fc1ccc(C(=O)N2CCC3(CN(C3)C(=O)\C=C\c3ccc(Br)cc3)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21BrF4N2O2/c25-17-4-1-16(2-5-17)3-8-21(32)31-14-23(15-31)9-11-30(12-10-23)22(33)19-7-6-18(26)13-20(19)24(27,28)29/h1-8,13H,9-12,14-15H2/b8-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332591
PNG
(5-bromoindol-2-yl 7-[(4-bromophenyl)carbonyl]-2,7-...)
Show SMILES Brc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)c2cc3cc(Br)ccc3[nH]2)CC1
Show InChI InChI=1S/C23H21Br2N3O2/c24-17-3-1-15(2-4-17)21(29)27-9-7-23(8-10-27)13-28(14-23)22(30)20-12-16-11-18(25)5-6-19(16)26-20/h1-6,11-12,26H,7-10,13-14H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332593
PNG
(5-bromoindol-2-yl 7-{[4-fluoro-2-(trifluoromethyl)...)
Show SMILES Fc1ccc(C(=O)N2CCC3(CN(C3)C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H20BrF4N3O2/c25-15-1-4-19-14(9-15)10-20(30-19)22(34)32-12-23(13-32)5-7-31(8-6-23)21(33)17-3-2-16(26)11-18(17)24(27,28)29/h1-4,9-11,30H,5-8,12-13H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332596
PNG
((2E)-1-{7-[(4-aminophenyl)carbonyl]-2,7-diazaspiro...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)\C=C\c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C23H24BrN3O2/c24-19-6-1-17(2-7-19)3-10-21(28)27-15-23(16-27)11-13-26(14-12-23)22(29)18-4-8-20(25)9-5-18/h1-10H,11-16,25H2/b10-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332597
PNG
((2E)-3-(4-bromophenyl)-1-(2-{[4-fluoro-2-(trifluor...)
Show SMILES Fc1ccc(C(=O)N2CC3(C2)CCN(CC3)C(=O)\C=C\c2ccc(Br)cc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H21BrF4N2O2/c25-17-4-1-16(2-5-17)3-8-21(32)30-11-9-23(10-12-30)14-31(15-23)22(33)19-7-6-18(26)13-20(19)24(27,28)29/h1-8,13H,9-12,14-15H2/b8-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332598
PNG
((2E)-3-(4-bromophenyl)-1-{2-[(4-fluorophenyl)carbo...)
Show SMILES Fc1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrFN2O2/c24-19-6-1-17(2-7-19)3-10-21(28)26-13-11-23(12-14-26)15-27(16-23)22(29)18-4-8-20(25)9-5-18/h1-10H,11-16H2/b10-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332599
PNG
((2E)-3-(4-bromophenyl)-1-(2-{[4-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C24H22BrF3N2O2/c25-20-8-1-17(2-9-20)3-10-21(31)29-13-11-23(12-14-29)15-30(16-23)22(32)18-4-6-19(7-5-18)24(26,27)28/h1-10H,11-16H2/b10-3+
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332613
PNG
(3-(4-bromophenyl)-1-{2-[(4-fluorophenyl)methyl]-2,...)
Show SMILES Fc1ccc(CN2CC3(C2)CCN(CC3)C(=O)C#Cc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H22BrFN2O/c24-20-6-1-18(2-7-20)5-10-22(28)27-13-11-23(12-14-27)16-26(17-23)15-19-3-8-21(25)9-4-19/h1-4,6-9H,11-17H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332614
PNG
(3-(4-bromophenyl)-1-{2-[(4-chlorophenyl)methyl]-2,...)
Show SMILES Clc1ccc(CN2CC3(C2)CCN(CC3)C(=O)C#Cc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H22BrClN2O/c24-20-6-1-18(2-7-20)5-10-22(28)27-13-11-23(12-14-27)16-26(17-23)15-19-3-8-21(25)9-4-19/h1-4,6-9H,11-17H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332616
PNG
(3-(4-bromophenyl)-1-(2-{[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)C#Cc1ccc(Br)cc1
Show InChI InChI=1S/C24H20BrF3N2O2/c25-20-8-1-17(2-9-20)3-10-21(31)29-13-11-23(12-14-29)15-30(16-23)22(32)18-4-6-19(7-5-18)24(26,27)28/h1-2,4-9H,11-16H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332617
PNG
(3-(4-bromophenyl)-1-{2-[(4-bromophenyl)methyl]-2,7...)
Show SMILES Brc1ccc(CN2CC3(C2)CCN(CC3)C(=O)C#Cc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C23H22Br2N2O/c24-20-6-1-18(2-7-20)5-10-22(28)27-13-11-23(12-14-27)16-26(17-23)15-19-3-8-21(25)9-4-19/h1-4,6-9H,11-17H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332618
PNG
(3-(4-bromophenyl)-1-(2-{[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(CN2CC3(C2)CCN(CC3)C(=O)C#Cc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H22BrF3N2O/c25-21-8-3-18(4-9-21)5-10-22(31)30-13-11-23(12-14-30)16-29(17-23)15-19-1-6-20(7-2-19)24(26,27)28/h1-4,6-9H,11-17H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332619
PNG
(3-(4-bromophenyl)-1-{2-[(4-methoxyphenyl)carbonyl]...)
Show SMILES COc1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)C#Cc1ccc(Br)cc1
Show InChI InChI=1S/C24H23BrN2O3/c1-30-21-9-5-19(6-10-21)23(29)27-16-24(17-27)12-14-26(15-13-24)22(28)11-4-18-2-7-20(25)8-3-18/h2-3,5-10H,12-17H2,1H3
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332621
PNG
(3-(4-chlorophenyl)-1-{2-[(4-chlorophenyl)carbonyl]...)
Show SMILES Clc1ccc(cc1)C#CC(=O)N1CCC2(CN(C2)C(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H20Cl2N2O2/c24-19-6-1-17(2-7-19)3-10-21(28)26-13-11-23(12-14-26)15-27(16-23)22(29)18-4-8-20(25)9-5-18/h1-2,4-9H,11-16H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332622
PNG
(3-(4-chlorophenyl)-1-{2-[(4-fluorophenyl)carbonyl]...)
Show SMILES Fc1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClFN2O2/c24-19-6-1-17(2-7-19)3-10-21(28)26-13-11-23(12-14-26)15-27(16-23)22(29)18-4-8-20(25)9-5-18/h1-2,4-9H,11-16H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332623
PNG
(3-(4-chlorophenyl)-1-(2-{[4-(trifluoromethyl)pheny...)
Show SMILES FC(F)(F)c1ccc(CN2CC3(C2)CCN(CC3)C(=O)C#Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H22ClF3N2O/c25-21-8-3-18(4-9-21)5-10-22(31)30-13-11-23(12-14-30)16-29(17-23)15-19-1-6-20(7-2-19)24(26,27)28/h1-4,6-9H,11-17H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332624
PNG
(3-(4-chlorophenyl)-1-(2-{[4-(trifluoromethyl)pheny...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H20ClF3N2O2/c25-20-8-1-17(2-9-20)3-10-21(31)29-13-11-23(12-14-29)15-30(16-23)22(32)18-4-6-19(7-5-18)24(26,27)28/h1-2,4-9H,11-16H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332625
PNG
(3-(4-chlorophenyl)-1-(7-{[4-(trifluoromethyl)pheny...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)C#Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H20ClF3N2O2/c25-20-8-1-17(2-9-20)3-10-21(31)30-15-23(16-30)11-13-29(14-12-23)22(32)18-4-6-19(7-5-18)24(26,27)28/h1-2,4-9H,11-16H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332627
PNG
(3-(4-chlorophenyl)-1-{2-[(4-chlorophenyl)methyl]-2...)
Show SMILES Clc1ccc(CN2CC3(C2)CCN(CC3)C(=O)C#Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H22Cl2N2O/c24-20-6-1-18(2-7-20)5-10-22(28)27-13-11-23(12-14-27)16-26(17-23)15-19-3-8-21(25)9-4-19/h1-4,6-9H,11-17H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332629
PNG
(3-(4-chlorophenyl)-1-{7-[(4-chlorophenyl)carbonyl]...)
Show SMILES Clc1ccc(cc1)C#CC(=O)N1CC2(C1)CCN(CC2)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl2N2O2/c24-19-6-1-17(2-7-19)3-10-21(28)27-15-23(16-27)11-13-26(14-12-23)22(29)18-4-8-20(25)9-5-18/h1-2,4-9H,11-16H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332632
PNG
(1-{2-[(4-chlorophenyl)carbonyl]-2,7-diazaspiro[3.5...)
Show SMILES Fc1ccc(cc1)C#CC(=O)N1CCC2(CN(C2)C(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H20ClFN2O2/c24-19-6-4-18(5-7-19)22(29)27-15-23(16-27)11-13-26(14-12-23)21(28)10-3-17-1-8-20(25)9-2-17/h1-2,4-9H,11-16H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332633
PNG
(3-(4-fluorophenyl)-1-(2-{[4-(trifluoromethyl)pheny...)
Show SMILES Fc1ccc(cc1)C#CC(=O)N1CCC2(CN(C2)C(=O)c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C24H20F4N2O2/c25-20-8-1-17(2-9-20)3-10-21(31)29-13-11-23(12-14-29)15-30(16-23)22(32)18-4-6-19(7-5-18)24(26,27)28/h1-2,4-9H,11-16H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332636
PNG
(3-(4-chlorophenyl)-1-{7-[(4-methoxyphenyl)carbonyl...)
Show SMILES COc1ccc(cc1)C(=O)N1CCC2(CN(C2)C(=O)C#Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H23ClN2O3/c1-30-21-9-5-19(6-10-21)23(29)26-14-12-24(13-15-26)16-27(17-24)22(28)11-4-18-2-7-20(25)8-3-18/h2-3,5-10H,12-17H2,1H3
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332640
PNG
(1-{7-[(4-bromophenyl)carbonyl]-2,7-diazaspiro[3.5]...)
Show SMILES Fc1ccc(cc1)C#CC(=O)N1CC2(C1)CCN(CC2)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C23H20BrFN2O2/c24-19-6-4-18(5-7-19)22(29)26-13-11-23(12-14-26)15-27(16-23)21(28)10-3-17-1-8-20(25)9-2-17/h1-2,4-9H,11-16H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM332641
PNG
(3-(4-fluorophenyl)-1-(7-{[4-(trifluoromethyl)pheny...)
Show SMILES Fc1ccc(cc1)C#CC(=O)N1CC2(C1)CCN(CC2)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H20F4N2O2/c25-20-8-1-17(2-9-20)3-10-21(31)30-15-23(16-30)11-13-29(14-12-23)22(32)18-4-6-19(7-5-18)24(26,27)28/h1-2,4-9H,11-16H2
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SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE

US Patent


Assay Description
The test compounds that demonstrated a corrected % activity of >=50% were defined as inhibitors of the reaction. The experimental values were normali...


US Patent US10196369 (2019)

More data for this
Ligand-Target Pair
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