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Patent code US9604960

Compile Data Set for Download or QSAR
Found 81 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
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159345
PNG
(US9034899, 36 | US9173879, 1 (-) - enantiomer | US...)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C21H16Cl2N4/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15/h1-8,11-12,18,24H,9-10H2
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n/an/a 1.80n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159327
PNG
(US9034899, 9 | US9604960, 9)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1cnccn1
Show InChI InChI=1S/C21H19Cl2N3/c1-21(2)17-9-14(20-12-24-7-8-25-20)3-5-15(17)16(11-26-21)13-4-6-18(22)19(23)10-13/h3-10,12,16,26H,11H2,1-2H3
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n/an/a 1.80n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159343
PNG
(US9034899, 34 | US9604960, 34)
Show SMILES Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N4/c20-16-4-2-11(8-17(16)21)15-10-23-9-13-7-12(1-3-14(13)15)18-5-6-19(22)25-24-18/h1-8,15,23H,9-10H2,(H2,22,25)
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n/an/a 1.80n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159347
PNG
(US9034899, 40 | US9604960, 40)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H20Cl2N4/c1-23(2)19-9-14(16-5-8-22-26-13-28-29(22)12-16)3-6-17(19)18(11-27-23)15-4-7-20(24)21(25)10-15/h3-10,12-13,18,27H,11H2,1-2H3
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n/an/a 2.10n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159331
PNG
(US9034899, 13 | US9604960, 13)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc(N)nn1
Show InChI InChI=1S/C21H20Cl2N4/c1-21(2)16-9-13(19-7-8-20(24)27-26-19)3-5-14(16)15(11-25-21)12-4-6-17(22)18(23)10-12/h3-10,15,25H,11H2,1-2H3,(H2,24,27)
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n/an/a 2.30n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159331
PNG
(US9034899, 13 | US9604960, 13)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc(N)nn1
Show InChI InChI=1S/C21H20Cl2N4/c1-21(2)16-9-13(19-7-8-20(24)27-26-19)3-5-14(16)15(11-25-21)12-4-6-17(22)18(23)10-12/h3-10,15,25H,11H2,1-2H3,(H2,24,27)
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n/an/a 2.40n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159330
PNG
(US9034899, 12 | US9604960, 12)
Show SMILES FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2F2N3O/c21-16-4-2-11(8-17(16)22)15-10-25-9-13-7-12(1-3-14(13)15)18-5-6-19(27-26-18)28-20(23)24/h1-8,15,20,25H,9-10H2
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n/an/a 3.60n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159347
PNG
(US9034899, 40 | US9604960, 40)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H20Cl2N4/c1-23(2)19-9-14(16-5-8-22-26-13-28-29(22)12-16)3-6-17(19)18(11-27-23)15-4-7-20(24)21(25)10-15/h3-10,12-13,18,27H,11H2,1-2H3
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n/an/a 4.20n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159327
PNG
(US9034899, 9 | US9604960, 9)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1cnccn1
Show InChI InChI=1S/C21H19Cl2N3/c1-21(2)17-9-14(20-12-24-7-8-25-20)3-5-15(17)16(11-26-21)13-4-6-18(22)19(23)10-13/h3-10,12,16,26H,11H2,1-2H3
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n/an/a 4.80n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159337
PNG
(US9034899, 25 | US9604960, 25)
Show SMILES Cc1noc(C)c1-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N2O/c1-11-20(12(2)25-24-11)14-3-5-16-15(7-14)9-23-10-17(16)13-4-6-18(21)19(22)8-13/h3-8,17,23H,9-10H2,1-2H3
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n/an/a 4.90n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159338
PNG
(US9034899, 26 | US9604960, 26)
Show SMILES NC(=O)c1ccc(cc1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Show InChI InChI=1S/C22H17Cl2FN2O/c23-19-6-5-14(8-20(19)24)18-11-27-10-15-7-17(21(25)9-16(15)18)12-1-3-13(4-2-12)22(26)28/h1-9,18,27H,10-11H2,(H2,26,28)
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n/an/a 5.80n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159335
PNG
(US9034899, 18 | US9604960, 18)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ncccc1=O
Show InChI InChI=1S/C19H15Cl2N3O/c20-17-6-3-12(9-18(17)21)16-11-22-10-13-8-14(4-5-15(13)16)24-19(25)2-1-7-23-24/h1-9,16,22H,10-11H2
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n/an/a 6.10n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159342
PNG
(US9034899, 33 | US9604960, 33)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1cccnn1
Show InChI InChI=1S/C19H15Cl2N3/c20-17-6-4-12(9-18(17)21)16-11-22-10-14-8-13(3-5-15(14)16)19-2-1-7-23-24-19/h1-9,16,22H,10-11H2
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n/an/a 6.20n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159334
PNG
(US9034899, 17 | US9604960, 17)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-7-4-13(10-19(18)22)17-12-23-11-14-9-15(5-6-16(14)17)24-8-2-1-3-20(24)25/h1-10,17,23H,11-12H2
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n/an/a 6.90n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159343
PNG
(US9034899, 34 | US9604960, 34)
Show SMILES Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N4/c20-16-4-2-11(8-17(16)21)15-10-23-9-13-7-12(1-3-14(13)15)18-5-6-19(22)25-24-18/h1-8,15,23H,9-10H2,(H2,22,25)
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n/an/a 7.10n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159341
PNG
(US9034899, 31 | US9604960, 31)
Show SMILES FC(F)Oc1ccc(nn1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Show InChI InChI=1S/C20H14Cl2F3N3O/c21-15-2-1-10(6-16(15)22)14-9-26-8-11-5-13(17(23)7-12(11)14)18-3-4-19(28-27-18)29-20(24)25/h1-7,14,20,26H,8-9H2
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n/an/a 9.80n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159329
PNG
(US9034899, 11 | US9604960, 11)
Show SMILES FC(F)(F)c1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2F3N3/c21-16-4-2-11(8-17(16)22)15-10-26-9-13-7-12(1-3-14(13)15)18-5-6-19(28-27-18)20(23,24)25/h1-8,15,26H,9-10H2
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n/an/a 10n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159333
PNG
(US9034899, 16 | US9604960, 16)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H19Cl2NO2S/c1-28(26,27)18-6-2-14(3-7-18)15-4-8-19-17(10-15)12-25-13-20(19)16-5-9-21(23)22(24)11-16/h2-11,20,25H,12-13H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159329
PNG
(US9034899, 11 | US9604960, 11)
Show SMILES FC(F)(F)c1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2F3N3/c21-16-4-2-11(8-17(16)22)15-10-26-9-13-7-12(1-3-14(13)15)18-5-6-19(28-27-18)20(23,24)25/h1-8,15,26H,9-10H2
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n/an/a 13n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159346
PNG
(US9034899, 39 | US9604960, 39)
Show SMILES Fc1cc2C(CNCc2cc1-c1ccc2ncnn2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H15Cl2FN4/c22-18-3-1-12(6-19(18)23)17-9-25-8-14-5-16(20(24)7-15(14)17)13-2-4-21-26-11-27-28(21)10-13/h1-7,10-11,17,25H,8-9H2
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n/an/a 14n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159332
PNG
(US9034899, 15 | US9604960, 15)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H16Cl2N2/c23-21-7-5-17(10-22(21)24)20-13-26-12-18-9-16(4-6-19(18)20)15-3-1-2-14(8-15)11-25/h1-10,20,26H,12-13H2
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n/an/a 14n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159342
PNG
(US9034899, 33 | US9604960, 33)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1cccnn1
Show InChI InChI=1S/C19H15Cl2N3/c20-17-6-4-12(9-18(17)21)16-11-22-10-14-8-13(3-5-15(14)16)19-2-1-7-23-24-19/h1-9,16,22H,10-11H2
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n/an/a 15n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159341
PNG
(US9034899, 31 | US9604960, 31)
Show SMILES FC(F)Oc1ccc(nn1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Show InChI InChI=1S/C20H14Cl2F3N3O/c21-15-2-1-10(6-16(15)22)14-9-26-8-11-5-13(17(23)7-12(11)14)18-3-4-19(28-27-18)29-20(24)25/h1-7,14,20,26H,8-9H2
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n/an/a 16n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159326
PNG
(US9034899, 5 | US9604960, 5)
Show SMILES Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN4/c20-15-4-1-12(2-5-15)17-11-22-10-14-9-13(3-6-16(14)17)18-7-8-19(21)24-23-18/h1-9,17,22H,10-11H2,(H2,21,24)
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n/an/a 16n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159330
PNG
(US9034899, 12 | US9604960, 12)
Show SMILES FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2F2N3O/c21-16-4-2-11(8-17(16)22)15-10-25-9-13-7-12(1-3-14(13)15)18-5-6-19(27-26-18)28-20(23)24/h1-8,15,20,25H,9-10H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159333
PNG
(US9034899, 16 | US9604960, 16)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H19Cl2NO2S/c1-28(26,27)18-6-2-14(3-7-18)15-4-8-19-17(10-15)12-25-13-20(19)16-5-9-21(23)22(24)11-16/h2-11,20,25H,12-13H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159325
PNG
(US9034899, 4 | US9604960, 4)
Show SMILES FC(F)(F)c1ccc(nn1)-c1ccc2C(CCNc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClF3N3/c21-14-4-1-12(2-5-14)15-9-10-25-18-11-13(3-6-16(15)18)17-7-8-19(27-26-17)20(22,23)24/h1-8,11,15,25H,9-10H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159343
PNG
(US9034899, 34 | US9604960, 34)
Show SMILES Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N4/c20-16-4-2-11(8-17(16)21)15-10-23-9-13-7-12(1-3-14(13)15)18-5-6-19(22)25-24-18/h1-8,15,23H,9-10H2,(H2,22,25)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159338
PNG
(US9034899, 26 | US9604960, 26)
Show SMILES NC(=O)c1ccc(cc1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Show InChI InChI=1S/C22H17Cl2FN2O/c23-19-6-5-14(8-20(19)24)18-11-27-10-15-7-17(21(25)9-16(15)18)12-1-3-13(4-2-12)22(26)28/h1-9,18,27H,10-11H2,(H2,26,28)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159338
PNG
(US9034899, 26 | US9604960, 26)
Show SMILES NC(=O)c1ccc(cc1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Show InChI InChI=1S/C22H17Cl2FN2O/c23-19-6-5-14(8-20(19)24)18-11-27-10-15-7-17(21(25)9-16(15)18)12-1-3-13(4-2-12)22(26)28/h1-9,18,27H,10-11H2,(H2,26,28)
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n/an/a 25n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159340
PNG
(US9034899, 30 | US9604960, 30)
Show SMILES NC(=O)c1ccc(cc1)-c1cc2CNCC(c3ccc(Cl)cc3)c2cc1F
Show InChI InChI=1S/C22H18ClFN2O/c23-17-7-5-14(6-8-17)20-12-26-11-16-9-19(21(24)10-18(16)20)13-1-3-15(4-2-13)22(25)27/h1-10,20,26H,11-12H2,(H2,25,27)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159345
PNG
(US9034899, 36 | US9173879, 1 (-) - enantiomer | US...)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C21H16Cl2N4/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15/h1-8,11-12,18,24H,9-10H2
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n/an/a 26n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159328
PNG
(US9034899, 10 | US9604960, 10)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H18Cl2F3N3/c1-21(2)16-9-13(19-7-8-20(30-29-19)22(25,26)27)3-5-14(16)15(11-28-21)12-4-6-17(23)18(24)10-12/h3-10,15,28H,11H2,1-2H3
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159342
PNG
(US9034899, 33 | US9604960, 33)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1cccnn1
Show InChI InChI=1S/C19H15Cl2N3/c20-17-6-4-12(9-18(17)21)16-11-22-10-14-8-13(3-5-15(14)16)19-2-1-7-23-24-19/h1-9,16,22H,10-11H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159328
PNG
(US9034899, 10 | US9604960, 10)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H18Cl2F3N3/c1-21(2)16-9-13(19-7-8-20(30-29-19)22(25,26)27)3-5-14(16)15(11-28-21)12-4-6-17(23)18(24)10-12/h3-10,15,28H,11H2,1-2H3
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM312238
PNG
(7-(6-Methylpyridazin-3-yl)-4-p-tolyl-1,2,3,4-tetra...)
Show SMILES Cc1ccc(cc1)C1CCNc2cc(ccc12)-c1ccc(C)nn1
Show InChI InChI=1S/C21H21N3/c1-14-3-6-16(7-4-14)18-11-12-22-21-13-17(8-9-19(18)21)20-10-5-15(2)23-24-20/h3-10,13,18,22H,11-12H2,1-2H3
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159339
PNG
(US9034899, 29 | US9604960, 29)
Show SMILES Fc1cc2C(CNCc2cc1-c1ccc(nn1)C(F)(F)F)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H13Cl2F4N3/c21-15-2-1-10(6-16(15)22)14-9-27-8-11-5-13(17(23)7-12(11)14)18-3-4-19(29-28-18)20(24,25)26/h1-7,14,27H,8-9H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159335
PNG
(US9034899, 18 | US9604960, 18)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ncccc1=O
Show InChI InChI=1S/C19H15Cl2N3O/c20-17-6-3-12(9-18(17)21)16-11-22-10-13-8-14(4-5-15(13)16)24-19(25)2-1-7-23-24/h1-9,16,22H,10-11H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159345
PNG
(US9034899, 36 | US9173879, 1 (-) - enantiomer | US...)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C21H16Cl2N4/c22-19-5-2-14(8-20(19)23)18-10-24-9-16-7-13(1-4-17(16)18)15-3-6-21-25-12-26-27(21)11-15/h1-8,11-12,18,24H,9-10H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159326
PNG
(US9034899, 5 | US9604960, 5)
Show SMILES Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN4/c20-15-4-1-12(2-5-15)17-11-22-10-14-9-13(3-6-16(14)17)18-7-8-19(21)24-23-18/h1-9,17,22H,10-11H2,(H2,21,24)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159341
PNG
(US9034899, 31 | US9604960, 31)
Show SMILES FC(F)Oc1ccc(nn1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Show InChI InChI=1S/C20H14Cl2F3N3O/c21-15-2-1-10(6-16(15)22)14-9-26-8-11-5-13(17(23)7-12(11)14)18-3-4-19(28-27-18)29-20(24)25/h1-7,14,20,26H,8-9H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159339
PNG
(US9034899, 29 | US9604960, 29)
Show SMILES Fc1cc2C(CNCc2cc1-c1ccc(nn1)C(F)(F)F)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H13Cl2F4N3/c21-15-2-1-10(6-16(15)22)14-9-27-8-11-5-13(17(23)7-12(11)14)18-3-4-19(29-28-18)20(24,25)26/h1-7,14,27H,8-9H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM47364
PNG
(US9034899, 22 | US9604960, 22)
Show SMILES Fc1cc2C(CNCc2cc1-c1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2FN3O/c20-15-2-1-10(6-16(15)21)14-9-23-8-11-5-13(17(22)7-12(11)14)18-3-4-19(26)25-24-18/h1-7,14,23H,8-9H2,(H,25,26)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM47364
PNG
(US9034899, 22 | US9604960, 22)
Show SMILES Fc1cc2C(CNCc2cc1-c1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2FN3O/c20-15-2-1-10(6-16(15)21)14-9-23-8-11-5-13(17(22)7-12(11)14)18-3-4-19(26)25-24-18/h1-7,14,23H,8-9H2,(H,25,26)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159325
PNG
(US9034899, 4 | US9604960, 4)
Show SMILES FC(F)(F)c1ccc(nn1)-c1ccc2C(CCNc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClF3N3/c21-14-4-1-12(2-5-14)15-9-10-25-18-11-13(3-6-16(15)18)17-7-8-19(27-26-17)20(22,23)24/h1-8,11,15,25H,9-10H2
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n/an/a 47n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159337
PNG
(US9034899, 25 | US9604960, 25)
Show SMILES Cc1noc(C)c1-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N2O/c1-11-20(12(2)25-24-11)14-3-5-16-15(7-14)9-23-10-17(16)13-4-6-18(21)19(22)8-13/h3-8,17,23H,9-10H2,1-2H3
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n/an/a 47n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159330
PNG
(US9034899, 12 | US9604960, 12)
Show SMILES FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2F2N3O/c21-16-4-2-11(8-17(16)22)15-10-25-9-13-7-12(1-3-14(13)15)18-5-6-19(27-26-18)28-20(23)24/h1-8,15,20,25H,9-10H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159347
PNG
(US9034899, 40 | US9604960, 40)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc2ncnn2c1
Show InChI InChI=1S/C23H20Cl2N4/c1-23(2)19-9-14(16-5-8-22-26-13-28-29(22)12-16)3-6-17(19)18(11-27-23)15-4-7-20(24)21(25)10-15/h3-10,12-13,18,27H,11H2,1-2H3
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159323
PNG
(US9034899, 2 | US9034899, 3 | US9604960, 3)
Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)
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n/an/a 54n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159344
PNG
(US9034899, 35 | US9604960, 35)
Show SMILES CC1(C)NCC(c2ccc(Cl)cc2)c2ccc(cc12)-c1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H19ClF3N3/c1-21(2)18-9-14(19-11-28-20(12-27-19)22(24,25)26)5-8-16(18)17(10-29-21)13-3-6-15(23)7-4-13/h3-9,11-12,17,29H,10H2,1-2H3
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n/an/a 61n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159326
PNG
(US9034899, 5 | US9604960, 5)
Show SMILES Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN4/c20-15-4-1-12(2-5-15)17-11-22-10-14-9-13(3-6-16(14)17)18-7-8-19(21)24-23-18/h1-9,17,22H,10-11H2,(H2,21,24)
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n/an/a 63n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM47364
PNG
(US9034899, 22 | US9604960, 22)
Show SMILES Fc1cc2C(CNCc2cc1-c1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2FN3O/c20-15-2-1-10(6-16(15)21)14-9-23-8-11-5-13(17(22)7-12(11)14)18-3-4-19(26)25-24-18/h1-7,14,23H,8-9H2,(H,25,26)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM312238
PNG
(7-(6-Methylpyridazin-3-yl)-4-p-tolyl-1,2,3,4-tetra...)
Show SMILES Cc1ccc(cc1)C1CCNc2cc(ccc12)-c1ccc(C)nn1
Show InChI InChI=1S/C21H21N3/c1-14-3-6-16(7-4-14)18-11-12-22-21-13-17(8-9-19(18)21)20-10-5-15(2)23-24-20/h3-10,13,18,22H,11-12H2,1-2H3
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n/an/a 65n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159346
PNG
(US9034899, 39 | US9604960, 39)
Show SMILES Fc1cc2C(CNCc2cc1-c1ccc2ncnn2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H15Cl2FN4/c22-18-3-1-12(6-19(18)23)17-9-25-8-14-5-16(20(24)7-15(14)17)13-2-4-21-26-11-27-28(21)10-13/h1-7,10-11,17,25H,8-9H2
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n/an/a 70n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159333
PNG
(US9034899, 16 | US9604960, 16)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H19Cl2NO2S/c1-28(26,27)18-6-2-14(3-7-18)15-4-8-19-17(10-15)12-25-13-20(19)16-5-9-21(23)22(24)11-16/h2-11,20,25H,12-13H2,1H3
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n/an/a 77n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159339
PNG
(US9034899, 29 | US9604960, 29)
Show SMILES Fc1cc2C(CNCc2cc1-c1ccc(nn1)C(F)(F)F)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H13Cl2F4N3/c21-15-2-1-10(6-16(15)22)14-9-27-8-11-5-13(17(23)7-12(11)14)18-3-4-19(29-28-18)20(24,25)26/h1-7,14,27H,8-9H2
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n/an/a 78n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159344
PNG
(US9034899, 35 | US9604960, 35)
Show SMILES CC1(C)NCC(c2ccc(Cl)cc2)c2ccc(cc12)-c1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H19ClF3N3/c1-21(2)18-9-14(19-11-28-20(12-27-19)22(24,25)26)5-8-16(18)17(10-29-21)13-3-6-15(23)7-4-13/h3-9,11-12,17,29H,10H2,1-2H3
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159329
PNG
(US9034899, 11 | US9604960, 11)
Show SMILES FC(F)(F)c1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2F3N3/c21-16-4-2-11(8-17(16)22)15-10-26-9-13-7-12(1-3-14(13)15)18-5-6-19(28-27-18)20(23,24)25/h1-8,15,26H,9-10H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159346
PNG
(US9034899, 39 | US9604960, 39)
Show SMILES Fc1cc2C(CNCc2cc1-c1ccc2ncnn2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H15Cl2FN4/c22-18-3-1-12(6-19(18)23)17-9-25-8-14-5-16(20(24)7-15(14)17)13-2-4-21-26-11-27-28(21)10-13/h1-7,10-11,17,25H,8-9H2
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n/an/a 83n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159336
PNG
(US9034899, 23 | US9604960, 23)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Show InChI InChI=1S/C22H18Cl2FNO2S/c1-29(27,28)16-4-2-3-13(7-16)18-8-15-11-26-12-19(17(15)10-22(18)25)14-5-6-20(23)21(24)9-14/h2-10,19,26H,11-12H2,1H3
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n/an/a 84n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159334
PNG
(US9034899, 17 | US9604960, 17)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-7-4-13(10-19(18)22)17-12-23-11-14-9-15(5-6-16(14)17)24-8-2-1-3-20(24)25/h1-10,17,23H,11-12H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159332
PNG
(US9034899, 15 | US9604960, 15)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H16Cl2N2/c23-21-7-5-17(10-22(21)24)20-13-26-12-18-9-16(4-6-19(18)20)15-3-1-2-14(8-15)11-25/h1-10,20,26H,12-13H2
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM312239
PNG
((+)-6-(4-(4-fluorophenyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4/c20-15-4-1-12(2-5-15)17-11-22-10-14-9-13(3-6-16(14)17)18-7-8-19(21)24-23-18/h1-9,17,22H,10-11H2,(H2,21,24)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159323
PNG
(US9034899, 2 | US9034899, 3 | US9604960, 3)
Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159331
PNG
(US9034899, 13 | US9604960, 13)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc(N)nn1
Show InChI InChI=1S/C21H20Cl2N4/c1-21(2)16-9-13(19-7-8-20(24)27-26-19)3-5-14(16)15(11-25-21)12-4-6-17(22)18(23)10-12/h3-10,15,25H,11H2,1-2H3,(H2,24,27)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM159340
PNG
(US9034899, 30 | US9604960, 30)
Show SMILES NC(=O)c1ccc(cc1)-c1cc2CNCC(c3ccc(Cl)cc3)c2cc1F
Show InChI InChI=1S/C22H18ClFN2O/c23-17-7-5-14(6-8-17)20-12-26-11-16-9-19(21(24)10-18(16)20)13-1-3-15(4-2-13)22(25)27/h1-10,20,26H,11-12H2,(H2,25,27)
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159336
PNG
(US9034899, 23 | US9604960, 23)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Show InChI InChI=1S/C22H18Cl2FNO2S/c1-29(27,28)16-4-2-3-13(7-16)18-8-15-11-26-12-19(17(15)10-22(18)25)14-5-6-20(23)21(24)9-14/h2-10,19,26H,11-12H2,1H3
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Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159335
PNG
(US9034899, 18 | US9604960, 18)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ncccc1=O
Show InChI InChI=1S/C19H15Cl2N3O/c20-17-6-3-12(9-18(17)21)16-11-22-10-13-8-14(4-5-15(13)16)24-19(25)2-1-7-23-24/h1-9,16,22H,10-11H2
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n/an/a 132n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159327
PNG
(US9034899, 9 | US9604960, 9)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1cnccn1
Show InChI InChI=1S/C21H19Cl2N3/c1-21(2)17-9-14(20-12-24-7-8-25-20)3-5-15(17)16(11-26-21)13-4-6-18(22)19(23)10-13/h3-10,12,16,26H,11H2,1-2H3
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n/an/a 133n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159325
PNG
(US9034899, 4 | US9604960, 4)
Show SMILES FC(F)(F)c1ccc(nn1)-c1ccc2C(CCNc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClF3N3/c21-14-4-1-12(2-5-14)15-9-10-25-18-11-13(3-6-16(15)18)17-7-8-19(27-26-17)20(22,23)24/h1-8,11,15,25H,9-10H2
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n/an/a 138n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM312239
PNG
((+)-6-(4-(4-fluorophenyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4/c20-15-4-1-12(2-5-15)17-11-22-10-14-9-13(3-6-16(14)17)18-7-8-19(21)24-23-18/h1-9,17,22H,10-11H2,(H2,21,24)
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n/an/a 144n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159323
PNG
(US9034899, 2 | US9034899, 3 | US9604960, 3)
Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)
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n/an/a 150n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM312238
PNG
(7-(6-Methylpyridazin-3-yl)-4-p-tolyl-1,2,3,4-tetra...)
Show SMILES Cc1ccc(cc1)C1CCNc2cc(ccc12)-c1ccc(C)nn1
Show InChI InChI=1S/C21H21N3/c1-14-3-6-16(7-4-14)18-11-12-22-21-13-17(8-9-19(18)21)20-10-5-15(2)23-24-20/h3-10,13,18,22H,11-12H2,1-2H3
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n/an/a 174n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159337
PNG
(US9034899, 25 | US9604960, 25)
Show SMILES Cc1noc(C)c1-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H18Cl2N2O/c1-11-20(12(2)25-24-11)14-3-5-16-15(7-14)9-23-10-17(16)13-4-6-18(21)19(22)8-13/h3-8,17,23H,9-10H2,1-2H3
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n/an/a 195n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM159332
PNG
(US9034899, 15 | US9604960, 15)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H16Cl2N2/c23-21-7-5-17(10-22(21)24)20-13-26-12-18-9-16(4-6-19(18)20)15-3-1-2-14(8-15)11-25/h1-10,20,26H,12-13H2
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n/an/a 213n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159340
PNG
(US9034899, 30 | US9604960, 30)
Show SMILES NC(=O)c1ccc(cc1)-c1cc2CNCC(c3ccc(Cl)cc3)c2cc1F
Show InChI InChI=1S/C22H18ClFN2O/c23-17-7-5-14(6-8-17)20-12-26-11-16-9-19(21(24)10-18(16)20)13-1-3-15(4-2-13)22(25)27/h1-10,20,26H,11-12H2,(H2,25,27)
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n/an/a 215n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159336
PNG
(US9034899, 23 | US9604960, 23)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc2CNCC(c3ccc(Cl)c(Cl)c3)c2cc1F
Show InChI InChI=1S/C22H18Cl2FNO2S/c1-29(27,28)16-4-2-3-13(7-16)18-8-15-11-26-12-19(17(15)10-22(18)25)14-5-6-20(23)21(24)9-14/h2-10,19,26H,11-12H2,1H3
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n/an/a 283n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM312239
PNG
((+)-6-(4-(4-fluorophenyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES Nc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4/c20-15-4-1-12(2-5-15)17-11-22-10-14-9-13(3-6-16(14)17)18-7-8-19(21)24-23-18/h1-9,17,22H,10-11H2,(H2,21,24)
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n/an/a 360n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159334
PNG
(US9034899, 17 | US9604960, 17)
Show SMILES Clc1ccc(cc1Cl)C1CNCc2cc(ccc12)-n1ccccc1=O
Show InChI InChI=1S/C20H16Cl2N2O/c21-18-7-4-13(10-19(18)22)17-12-23-11-14-9-15(5-6-16(14)17)24-8-2-1-3-20(24)25/h1-10,17,23H,11-12H2
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n/an/a 421n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159328
PNG
(US9034899, 10 | US9604960, 10)
Show SMILES CC1(C)NCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)-c1ccc(nn1)C(F)(F)F
Show InChI InChI=1S/C22H18Cl2F3N3/c1-21(2)16-9-13(19-7-8-20(30-29-19)22(25,26)27)3-5-14(16)15(11-28-21)12-4-6-17(23)18(24)10-12/h3-10,15,28H,11H2,1-2H3
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n/an/a 549n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM159344
PNG
(US9034899, 35 | US9604960, 35)
Show SMILES CC1(C)NCC(c2ccc(Cl)cc2)c2ccc(cc12)-c1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H19ClF3N3/c1-21(2)18-9-14(19-11-28-20(12-27-19)22(24,25)26)5-8-16(18)17(10-29-21)13-3-6-15(23)7-4-13/h3-9,11-12,17,29H,10H2,1-2H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....


US Patent US9604960 (2017)

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