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Patent code US9533995

Compile Data Set for Download or QSAR
Found 14 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
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200837
PNG
(2-[2-((2s,3's)-2-methyl-[1,3']bipyrrolidin...)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ncc(cn1)N1CCC2(CCOCC2)C1=O
Show InChI InChI=1S/C21H31N5O2/c1-16-3-2-8-25(16)17-4-9-24(15-17)20-22-13-18(14-23-20)26-10-5-21(19(26)27)6-11-28-12-7-21/h13-14,16-17H,2-12,15H2,1H3/t16-,17-/m0/s1
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4.21n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200827
PNG
(2-[2-methyl-6-((2s,3's)-2-methyl-[1,3']bip...)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCC3(CCOCC3)C2=O)c(C)n1
Show InChI InChI=1S/C23H34N4O2/c1-17-4-3-11-26(17)19-7-12-25(16-19)21-6-5-20(18(2)24-21)27-13-8-23(22(27)28)9-14-29-15-10-23/h5-6,17,19H,3-4,7-16H2,1-2H3/t17-,19-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200831
PNG
(2-[2-methyl-6-((2s,3's)-2-methyl-[1,3']bip...)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCC3(CCNCC3)C2=O)c(C)n1
Show InChI InChI=1S/C23H35N5O/c1-17-4-3-13-27(17)19-7-14-26(16-19)21-6-5-20(18(2)25-21)28-15-10-23(22(28)29)8-11-24-12-9-23/h5-6,17,19,24H,3-4,7-16H2,1-2H3/t17-,19-/m0/s1
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7.57n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200828
PNG
(2-[2-methyl-6-((2s,3'r)-2-methyl-[1,3']bip...)
Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(N2CCC3(CCNCC3)C2=O)c(C)n1
Show InChI InChI=1S/C23H35N5O/c1-17-4-3-13-27(17)19-7-14-26(16-19)21-6-5-20(18(2)25-21)28-15-10-23(22(28)29)8-11-24-12-9-23/h5-6,17,19,24H,3-4,7-16H2,1-2H3/t17-,19+/m0/s1
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17.5n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200833
PNG
(2-[5-((2s,3's)-2-methyl-[1,3']bipyrrolidin...)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(nc1)N1CCC2(CCOCC2)C1=O
Show InChI InChI=1S/C22H32N4O2/c1-17-3-2-10-25(17)19-6-11-24(16-19)18-4-5-20(23-15-18)26-12-7-22(21(26)27)8-13-28-14-9-22/h4-5,15,17,19H,2-3,6-14,16H2,1H3/t17-,19-/m0/s1
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22.3n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200830
PNG
(2-[5-((2s,3's)-2-methyl-[1,3']bipyrrolidin...)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1cnc(cn1)N1CCC2(CCNCC2)C1=O
Show InChI InChI=1S/C21H32N6O/c1-16-3-2-10-26(16)17-4-11-25(15-17)18-13-24-19(14-23-18)27-12-7-21(20(27)28)5-8-22-9-6-21/h13-14,16-17,22H,2-12,15H2,1H3/t16-,17-/m0/s1
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26.3n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200815
PNG
(1 2-[2-Methyl-6-((2S,3′R)-2-methyl-[1,3̸...)
Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(N2CCC3(CCOCC3)C2=O)c(C)n1
Show InChI InChI=1S/C23H34N4O2/c1-17-4-3-11-26(17)19-7-12-25(16-19)21-6-5-20(18(2)24-21)27-13-8-23(22(27)28)9-14-29-15-10-23/h5-6,17,19H,3-4,7-16H2,1-2H3/t17-,19+/m0/s1
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37.6n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200829
PNG
(2-[2-methyl-6-((2s,3'r)-2-methyl-[1,3']bip...)
Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(N2CCCC3(CCNCC3)C2=O)c(C)n1
Show InChI InChI=1S/C24H37N5O/c1-18-5-3-14-28(18)20-8-16-27(17-20)22-7-6-21(19(2)26-22)29-15-4-9-24(23(29)30)10-12-25-13-11-24/h6-7,18,20,25H,3-5,8-17H2,1-2H3/t18-,20+/m0/s1
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38.9n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200832
PNG
(2-[2-((2s,3's)-2-methyl-[1,3']bipyrrolidin...)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ncc(cn1)N1CCC2(CCN(CC2)C(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C26H40N6O3/c1-19-6-5-11-31(19)20-7-12-30(18-20)23-27-16-21(17-28-23)32-15-10-26(22(32)33)8-13-29(14-9-26)24(34)35-25(2,3)4/h16-17,19-20H,5-15,18H2,1-4H3/t19-,20-/m0/s1
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48.5n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200823
PNG
(2-[2-methyl-6-((2s,3'r)-2-methyl-[1,3']bip...)
Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(N2CCC3(CCCCC3)C2=O)c(C)n1
Show InChI InChI=1S/C24H36N4O/c1-18-7-6-14-27(18)20-10-15-26(17-20)22-9-8-21(19(2)25-22)28-16-13-24(23(28)29)11-4-3-5-12-24/h8-9,18,20H,3-7,10-17H2,1-2H3/t18-,20+/m0/s1
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56.5n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200821
PNG
(2-[2-methyl-6-((2s,3'r)-2-methyl-[1,3']bip...)
Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(N2CCCC3(CCOCC3)C2=O)c(C)n1
Show InChI InChI=1S/C24H36N4O2/c1-18-5-3-12-27(18)20-8-14-26(17-20)22-7-6-21(19(2)25-22)28-13-4-9-24(23(28)29)10-15-30-16-11-24/h6-7,18,20H,3-5,8-17H2,1-2H3/t18-,20+/m0/s1
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95.1n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200836
PNG
(2-[2-methyl-6-((2s,3's)-2-methyl-[1,3']bip...)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCC3(CCN(CC3)C(=O)OC(C)(C)C)C2=O)c(C)n1
Show InChI InChI=1S/C28H43N5O3/c1-20-7-6-14-32(20)22-10-15-31(19-22)24-9-8-23(21(2)29-24)33-18-13-28(25(33)34)11-16-30(17-12-28)26(35)36-27(3,4)5/h8-9,20,22H,6-7,10-19H2,1-5H3/t20-,22-/m0/s1
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95.5n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200834
PNG
(2-[5-((2s,3's)-2-methyl-[1,3']bipyrrolidin...)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1cnc(cn1)N1CCC2(CCN(CC2)C(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C26H40N6O3/c1-19-6-5-11-31(19)20-7-12-30(18-20)21-16-28-22(17-27-21)32-15-10-26(23(32)33)8-13-29(14-9-26)24(34)35-25(2,3)4/h16-17,19-20H,5-15,18H2,1-4H3/t19-,20-/m0/s1
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105n/an/an/an/an/an/an/an/a



Sanofi

US Patent


Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM200822
PNG
(8-hydroxy-2-[2-methyl-6-((2s,3'r)-2-methyl-[1,...)
Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(N2CCC3(CCC(O)CC3)C2=O)c(C)n1
Show InChI InChI=1S/C24H36N4O2/c1-17-4-3-13-27(17)19-9-14-26(16-19)22-6-5-21(18(2)25-22)28-15-12-24(23(28)30)10-7-20(29)8-11-24/h5-6,17,19-20,29H,3-4,7-16H2,1-2H3/t17-,19+,20?,24?/m0/s1
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267n/an/an/an/an/an/an/an/a



Sanofi

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Assay Description
Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elme...


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