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Patent code US10800746

Compile Data Set for Download or QSAR
Found 22 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin receptor


(Homo sapiens (Human))
BDBM466529
PNG
(2-{[5-Acetyl-1-(2-chlorophenyl)-1H-1,2,4-triazol-3...)
Show SMILES CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-5-3-2-4-15(16)24)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-6-8-14(23)9-7-13/h2-9,17,35H,10-11H2,1H3/t17-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466533
PNG
(US10800746, Example WO 2011/104322 56)
Show SMILES COC(=O)Cn1nc(nc1Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C23H19Cl2F3N6O4/c1-38-19(36)12-33-18(29-20(30-33)15-4-2-3-5-16(15)25)11-34-22(37)32(10-17(35)23(26,27)28)21(31-34)13-6-8-14(24)9-7-13/h2-9,17,35H,10-12H2,1H3/t17-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466527
PNG
(2-{[5-Acetyl-1-(3-chlorophenyl)-1H-1,2,4-triazol-3...)
Show SMILES CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H17Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9,17,35H,10-11H2,1H3/t17-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466531
PNG
(5-(4-Chlorophenyl)-2-({1-(3-chlorophenyl)-5-[(1S,R...)
Show SMILES CC(O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(CC(=O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H17Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9,12,34H,10-11H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM192468
PNG
(US10800746, Example WO 2011/104322 110 | US9187466...)
Show SMILES O[C@@H](Cn1c(nn(Cc2cn(cn2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H16Cl2F3N5O2/c22-14-7-5-13(6-8-14)19-28-31(20(33)30(19)11-18(32)21(24,25)26)10-15-9-29(12-27-15)17-4-2-1-3-16(17)23/h1-9,12,18,32H,10-11H2/t18-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466529
PNG
(2-{[5-Acetyl-1-(2-chlorophenyl)-1H-1,2,4-triazol-3...)
Show SMILES CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-5-3-2-4-15(16)24)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-6-8-14(23)9-7-13/h2-9,17,35H,10-11H2,1H3/t17-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM192455
PNG
(US10800746, Example WO 2011/104322 68 | US9187466,...)
Show SMILES NC(=O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2F3N7O3/c23-13-7-5-12(6-8-13)19-31-34(21(37)32(19)9-16(35)22(25,26)27)11-18-29-20(33(30-18)10-17(28)36)14-3-1-2-4-15(14)24/h1-8,16,35H,9-11H2,(H2,28,36)/t16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466528
PNG
(2-{[5-Acetyl-1-(3-fluorophenyl)-1H-1,2,4-triazol-3...)
Show SMILES CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(F)c1
Show InChI InChI=1S/C22H17ClF4N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9,17,35H,10-11H2,1H3/t17-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466533
PNG
(US10800746, Example WO 2011/104322 56)
Show SMILES COC(=O)Cn1nc(nc1Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C23H19Cl2F3N6O4/c1-38-19(36)12-33-18(29-20(30-33)15-4-2-3-5-16(15)25)11-34-22(37)32(10-17(35)23(26,27)28)21(31-34)13-6-8-14(24)9-7-13/h2-9,17,35H,10-12H2,1H3/t17-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466528
PNG
(2-{[5-Acetyl-1-(3-fluorophenyl)-1H-1,2,4-triazol-3...)
Show SMILES CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(F)c1
Show InChI InChI=1S/C22H17ClF4N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9,17,35H,10-11H2,1H3/t17-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466530
PNG
(2-{[5-Acetyl-1-(3-chlorophenyl)-1H-1,2,4-triazol-3...)
Show SMILES CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(CC(=O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H15Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9H,10-11H2,1H3
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n/an/a 7.70n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM192455
PNG
(US10800746, Example WO 2011/104322 68 | US9187466,...)
Show SMILES NC(=O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2F3N7O3/c23-13-7-5-12(6-8-13)19-31-34(21(37)32(19)9-16(35)22(25,26)27)11-18-29-20(33(30-18)10-17(28)36)14-3-1-2-4-15(14)24/h1-8,16,35H,9-11H2,(H2,28,36)/t16-/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM192468
PNG
(US10800746, Example WO 2011/104322 110 | US9187466...)
Show SMILES O[C@@H](Cn1c(nn(Cc2cn(cn2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H16Cl2F3N5O2/c22-14-7-5-13(6-8-14)19-28-31(20(33)30(19)11-18(32)21(24,25)26)10-15-9-29(12-27-15)17-4-2-1-3-16(17)23/h1-9,12,18,32H,10-11H2/t18-/m0/s1
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n/an/a 15.2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM192453
PNG
(US10800746, Example WO 2011/104322 54 | US9187466,...)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc([nH]2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
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n/an/a 16.6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM192467
PNG
(US10800746, Example WO 2011/104322 101 | US9187466...)
Show SMILES O[C@@H](Cn1c(nn(Cc2cn(nn2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C20H15Cl2F3N6O2/c21-13-7-5-12(6-8-13)18-27-31(19(33)29(18)11-17(32)20(23,24)25)10-14-9-30(28-26-14)16-4-2-1-3-15(16)22/h1-9,17,32H,10-11H2/t17-/m0/s1
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n/an/a 23.8n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM192454
PNG
(US10800746, Example WO 2011/104322 60 | US9187466,...)
Show SMILES O[C@@H](Cn1c(nn(Cc2nc(-c3ccccc3Cl)n(CC(O)=O)n2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C22H17Cl2F3N6O4/c23-13-7-5-12(6-8-13)19-30-33(21(37)31(19)9-16(34)22(25,26)27)10-17-28-20(32(29-17)11-18(35)36)14-3-1-2-4-15(14)24/h1-8,16,34H,9-11H2,(H,35,36)/t16-/m0/s1
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n/an/a 32.6n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466527
PNG
(2-{[5-Acetyl-1-(3-chlorophenyl)-1H-1,2,4-triazol-3...)
Show SMILES CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H17Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9,17,35H,10-11H2,1H3/t17-/m0/s1
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n/an/a 34.5n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM192467
PNG
(US10800746, Example WO 2011/104322 101 | US9187466...)
Show SMILES O[C@@H](Cn1c(nn(Cc2cn(nn2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C20H15Cl2F3N6O2/c21-13-7-5-12(6-8-13)18-27-31(19(33)29(18)11-17(32)20(23,24)25)10-14-9-30(28-26-14)16-4-2-1-3-15(16)22/h1-9,17,32H,10-11H2/t17-/m0/s1
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n/an/a 42.2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM192454
PNG
(US10800746, Example WO 2011/104322 60 | US9187466,...)
Show SMILES O[C@@H](Cn1c(nn(Cc2nc(-c3ccccc3Cl)n(CC(O)=O)n2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C22H17Cl2F3N6O4/c23-13-7-5-12(6-8-13)19-30-33(21(37)31(19)9-16(34)22(25,26)27)10-17-28-20(32(29-17)11-18(35)36)14-3-1-2-4-15(14)24/h1-8,16,34H,9-11H2,(H,35,36)/t16-/m0/s1
PDB

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n/an/a 54.2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466531
PNG
(5-(4-Chlorophenyl)-2-({1-(3-chlorophenyl)-5-[(1S,R...)
Show SMILES CC(O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(CC(=O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H17Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9,12,34H,10-11H2,1H3
PDB

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n/an/a 55n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM192453
PNG
(US10800746, Example WO 2011/104322 54 | US9187466,...)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc([nH]2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
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US Patent
n/an/a 56.4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM466530
PNG
(2-{[5-Acetyl-1-(3-chlorophenyl)-1H-1,2,4-triazol-3...)
Show SMILES CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(CC(=O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H15Cl2F3N6O3/c1-12(34)19-28-18(29-33(19)16-4-2-3-15(24)9-16)11-32-21(36)31(10-17(35)22(25,26)27)20(30-32)13-5-7-14(23)8-6-13/h2-9H,10-11H2,1H3
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US Patent
n/an/a 123n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of th...


US Patent US10800746 (2020)

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