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Patent code US9687476

Compile Data Set for Download or QSAR
Found 60 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
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192452
PNG
(US9187466, 50 | US9687476, 50)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3F)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
PDB

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n/an/a 1.40n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192451
PNG
(US9187466, 49 | US9687476, 49)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
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n/an/a 1.5n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192449
PNG
(US9187466, 32 | US9687476, 32)
Show SMILES OC(=O)c1cccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H19Cl3N6O3/c27-18-9-7-16(8-10-18)24-33-35(26(38)34(24)13-15-3-1-4-17(11-15)25(36)37)14-23-30-22(31-32-23)12-19-20(28)5-2-6-21(19)29/h1-11H,12-14H2,(H,36,37)(H,30,31,32)
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n/an/a 2n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 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 |r|
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 3.30n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192450
PNG
(US9187466, 42 | US9687476, 42)
Show SMILES COc1ccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H21Cl3N6O2/c1-37-19-11-5-16(6-12-19)14-34-25(17-7-9-18(27)10-8-17)33-35(26(34)36)15-24-30-23(31-32-24)13-20-21(28)3-2-4-22(20)29/h2-12H,13-15H2,1H3,(H,30,31,32)
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n/an/a 4n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192456
PNG
(US9187466, 71 | US9687476, 71)
Show SMILES FC(F)(F)CCn1c(nn(Cc2nnc(Cc3c(Cl)cccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16Cl3F3N6O/c22-13-6-4-12(5-7-13)19-31-33(20(34)32(19)9-8-21(25,26)27)11-18-28-17(29-30-18)10-14-15(23)2-1-3-16(14)24/h1-7H,8-11H2,(H,28,29,30)
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n/an/a 4.20n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 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 |r|
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 4.40n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192473
PNG
(US9187466, 132 | US9687476, 132)
Show SMILES OC(Cn1c(nn(Cc2cc(ccc2C(O)=O)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C25H18Cl2F3N3O4/c26-17-8-5-14(6-9-17)22-31-33(24(37)32(22)13-21(34)25(28,29)30)12-16-11-15(7-10-19(16)23(35)36)18-3-1-2-4-20(18)27/h1-11,21,34H,12-13H2,(H,35,36)
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n/an/a 4.60n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192474
PNG
(US9187466, 135 | US9687476, 135)
Show SMILES NC(=O)c1ccc(cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C25H19Cl2F3N4O3/c26-17-8-5-14(6-9-17)23-32-34(24(37)33(23)13-21(35)25(28,29)30)12-16-11-15(7-10-19(16)22(31)36)18-3-1-2-4-20(18)27/h1-11,21,35H,12-13H2,(H2,31,36)
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n/an/a 5.80n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a 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 |r|
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 6.5n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a 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 |r|
PDB

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n/an/a 6.80n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192469
PNG
(US9187466, 111 | US9687476, 111)
Show SMILES O[C@@H](Cn1c(nn(Cc2cnn(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H16Cl2F3N5O2/c22-15-7-5-14(6-8-15)19-28-31(20(33)29(19)12-18(32)21(24,25)26)11-13-9-27-30(10-13)17-4-2-1-3-16(17)23/h1-10,18,32H,11-12H2/t18-/m0/s1
PDB

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n/an/a 7.70n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 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 |r|
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/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192466
PNG
(US9187466, 96 | US9687476, 96)
Show SMILES O[C@@H](Cn1c(nn(Cc2cc(ncn2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H15Cl3F3N5O2/c23-13-6-4-12(5-7-13)20-31-33(21(35)32(20)10-18(34)22(26,27)28)9-14-8-17(30-11-29-14)15-2-1-3-16(24)19(15)25/h1-8,11,18,34H,9-10H2/t18-/m0/s1
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n/an/a 8.40n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 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 |r|
PDB

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n/an/a 8.5n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192449
PNG
(US9187466, 32 | US9687476, 32)
Show SMILES OC(=O)c1cccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H19Cl3N6O3/c27-18-9-7-16(8-10-18)24-33-35(26(38)34(24)13-15-3-1-4-17(11-15)25(36)37)14-23-30-22(31-32-23)12-19-20(28)5-2-6-21(19)29/h1-11H,12-14H2,(H,36,37)(H,30,31,32)
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n/an/a 8.60n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192450
PNG
(US9187466, 42 | US9687476, 42)
Show SMILES COc1ccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H21Cl3N6O2/c1-37-19-11-5-16(6-12-19)14-34-25(17-7-9-18(27)10-8-17)33-35(26(34)36)15-24-30-23(31-32-24)13-20-21(28)3-2-4-22(20)29/h2-12H,13-15H2,1H3,(H,30,31,32)
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n/an/a 11n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 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 |r|
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 12n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192463
PNG
(US9187466, 87 | US9687476, 87)
Show SMILES OC(Cn1c(nn(Cc2cncc(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C23H17Cl2F3N4O2/c24-17-7-5-15(6-8-17)21-30-32(22(34)31(21)13-20(33)23(26,27)28)12-14-9-16(11-29-10-14)18-3-1-2-4-19(18)25/h1-11,20,33H,12-13H2
PDB

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n/an/a 12n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a 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 |r|
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
PDB

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n/an/a 12n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192456
PNG
(US9187466, 71 | US9687476, 71)
Show SMILES FC(F)(F)CCn1c(nn(Cc2nnc(Cc3c(Cl)cccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16Cl3F3N6O/c22-13-6-4-12(5-7-13)19-31-33(20(34)32(19)9-8-21(25,26)27)11-18-28-17(29-30-18)10-14-15(23)2-1-3-16(14)24/h1-7H,8-11H2,(H,28,29,30)
PDB

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n/an/a 13n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192458
PNG
(US9187466, 76 | US9687476, 76)
Show SMILES O[C@@H](Cn1c(nn(Cc2cnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H15ClF6N4O2S/c23-13-7-5-12(6-8-13)18-31-33(20(35)32(18)11-17(34)22(27,28)29)10-14-9-30-19(36-14)15-3-1-2-4-16(15)21(24,25)26/h1-9,17,34H,10-11H2/t17-/m0/s1
PDB

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n/an/a 17n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192451
PNG
(US9187466, 49 | US9687476, 49)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
PDB

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n/an/a 19n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192458
PNG
(US9187466, 76 | US9687476, 76)
Show SMILES O[C@@H](Cn1c(nn(Cc2cnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H15ClF6N4O2S/c23-13-7-5-12(6-8-13)18-31-33(20(35)32(18)11-17(34)22(27,28)29)10-14-9-30-19(36-14)15-3-1-2-4-16(15)21(24,25)26/h1-9,17,34H,10-11H2/t17-/m0/s1
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n/an/a 23n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192445
PNG
(US9187466, 9 | US9687476, 9)
Show SMILES O[C@@H](Cn1c(nn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14ClF6N5O3/c22-12-7-5-11(6-8-12)18-30-33(19(35)32(18)9-15(34)21(26,27)28)10-16-29-17(31-36-16)13-3-1-2-4-14(13)20(23,24)25/h1-8,15,34H,9-10H2/t15-/m0/s1
PDB

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n/an/a 23n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192448
PNG
(US9187466, 26 | US9687476, 26)
Show SMILES Fc1ccccc1Cn1c(nn(Cc2nnc(Cc3ccccc3C(F)(F)F)[nH]2)c1=O)-c1ccc(Cl)s1
Show InChI InChI=1S/C24H17ClF4N6OS/c25-19-10-9-18(37-19)22-33-35(23(36)34(22)12-15-6-2-4-8-17(15)26)13-21-30-20(31-32-21)11-14-5-1-3-7-16(14)24(27,28)29/h1-10H,11-13H2,(H,30,31,32)
PDB

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n/an/a 23n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192459
PNG
(US9187466, 78 | US9687476, 78)
Show SMILES O[C@@H](Cn1c(nn(Cc2ncc(s2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H15Cl2F3N4O2S/c22-13-7-5-12(6-8-13)19-28-30(20(32)29(19)10-17(31)21(24,25)26)11-18-27-9-16(33-18)14-3-1-2-4-15(14)23/h1-9,17,31H,10-11H2/t17-/m0/s1
PDB

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n/an/a 23n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a 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 |r|
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
PDB

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n/an/a 27n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192472
PNG
(US9187466, 122 | US9687476, 122)
Show SMILES OC(Cn1c(nn(Cc2cccc(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C24H18Cl2F3N3O2/c25-18-10-8-16(9-11-18)22-30-32(23(34)31(22)14-21(33)24(27,28)29)13-15-4-3-5-17(12-15)19-6-1-2-7-20(19)26/h1-12,21,33H,13-14H2
PDB

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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192448
PNG
(US9187466, 26 | US9687476, 26)
Show SMILES Fc1ccccc1Cn1c(nn(Cc2nnc(Cc3ccccc3C(F)(F)F)[nH]2)c1=O)-c1ccc(Cl)s1
Show InChI InChI=1S/C24H17ClF4N6OS/c25-19-10-9-18(37-19)22-33-35(23(36)34(22)12-15-6-2-4-8-17(15)26)13-21-30-20(31-32-21)11-14-5-1-3-7-16(14)24(27,28)29/h1-10H,11-13H2,(H,30,31,32)
PDB

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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192459
PNG
(US9187466, 78 | US9687476, 78)
Show SMILES O[C@@H](Cn1c(nn(Cc2ncc(s2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H15Cl2F3N4O2S/c22-13-7-5-12(6-8-13)19-28-30(20(32)29(19)10-17(31)21(24,25)26)11-18-27-9-16(33-18)14-3-1-2-4-15(14)23/h1-9,17,31H,10-11H2/t17-/m0/s1
PDB

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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192469
PNG
(US9187466, 111 | US9687476, 111)
Show SMILES O[C@@H](Cn1c(nn(Cc2cnn(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H16Cl2F3N5O2/c22-15-7-5-14(6-8-15)19-28-31(20(33)29(19)12-18(32)21(24,25)26)11-13-9-27-30(10-13)17-4-2-1-3-16(17)23/h1-10,18,32H,11-12H2/t18-/m0/s1
PDB

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n/an/a 31n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192446
PNG
(US9187466, 17 | US9687476, 17)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(o2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H14Cl2F3N5O3/c21-12-7-5-11(6-8-12)17-28-30(19(32)29(17)9-15(31)20(23,24)25)10-16-26-27-18(33-16)13-3-1-2-4-14(13)22/h1-8,15,31H,9-10H2/t15-/m0/s1
PDB

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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192452
PNG
(US9187466, 50 | US9687476, 50)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3F)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
PDB

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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192471
PNG
(US9187466, 117 | US9687476, 117)
Show SMILES OC(Cn1c(nn(c1=O)S(=O)(=O)c1ncnn1Cc1ccccc1C(F)(F)F)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H15ClF6N6O4S/c22-14-7-5-12(6-8-14)17-31-34(19(36)32(17)10-16(35)21(26,27)28)39(37,38)18-29-11-30-33(18)9-13-3-1-2-4-15(13)20(23,24)25/h1-8,11,16,35H,9-10H2
PDB

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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192457
PNG
(US9187466, 74 | US9687476, 74)
Show SMILES O[C@@H](Cn1c(nn(Cc2ccc(s2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H15Cl3F3N3O2S/c23-13-6-4-12(5-7-13)20-29-31(21(33)30(20)11-18(32)22(26,27)28)10-14-8-9-17(34-14)15-2-1-3-16(24)19(15)25/h1-9,18,32H,10-11H2/t18-/m0/s1
PDB

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n/an/a 40n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192471
PNG
(US9187466, 117 | US9687476, 117)
Show SMILES OC(Cn1c(nn(c1=O)S(=O)(=O)c1ncnn1Cc1ccccc1C(F)(F)F)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H15ClF6N6O4S/c22-14-7-5-12(6-8-14)17-31-34(19(36)32(17)10-16(35)21(26,27)28)39(37,38)18-29-11-30-33(18)9-13-3-1-2-4-15(13)20(23,24)25/h1-8,11,16,35H,9-10H2
PDB

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n/an/a 45n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192447
PNG
(US9187466, 20 | US9687476, 20)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14ClF6N5O2S/c22-12-7-5-11(6-8-12)17-31-33(19(35)32(17)9-15(34)21(26,27)28)10-16-29-30-18(36-16)13-3-1-2-4-14(13)20(23,24)25/h1-8,15,34H,9-10H2/t15-/m0/s1
PDB

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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a 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 |r|
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 50n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192445
PNG
(US9187466, 9 | US9687476, 9)
Show SMILES O[C@@H](Cn1c(nn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14ClF6N5O3/c22-12-7-5-11(6-8-12)18-30-33(19(35)32(18)9-15(34)21(26,27)28)10-16-29-17(31-36-16)13-3-1-2-4-14(13)20(23,24)25/h1-8,15,34H,9-10H2/t15-/m0/s1
PDB

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Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192460
PNG
(US9187466, 83 | US9687476, 83)
Show SMILES O[C@@H](Cn1c(nn(Cc2cnc(o2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14Cl3F3N4O3/c22-12-6-4-11(5-7-12)18-29-31(20(33)30(18)10-16(32)21(25,26)27)9-13-8-28-19(34-13)14-2-1-3-15(23)17(14)24/h1-8,16,32H,9-10H2/t16-/m0/s1
PDB

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n/an/a 67n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192464
PNG
(US9187466, 90 | US9687476, 90)
Show SMILES O[C@@H](Cn1c(nn(Cc2ccnc(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H17Cl2F3N4O2/c24-16-7-5-15(6-8-16)21-30-32(22(34)31(21)13-20(33)23(26,27)28)12-14-9-10-29-19(11-14)17-3-1-2-4-18(17)25/h1-11,20,33H,12-13H2/t20-/m0/s1
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n/an/a 88n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192465
PNG
(US9187466, 93 | US9687476, 93)
Show SMILES O[C@@H](Cn1c(nn(Cc2ccnc(n2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H16Cl2F3N5O2/c23-14-7-5-13(6-8-14)20-30-32(21(34)31(20)12-18(33)22(25,26)27)11-15-9-10-28-19(29-15)16-3-1-2-4-17(16)24/h1-10,18,33H,11-12H2/t18-/m0/s1
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n/an/a 89n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192465
PNG
(US9187466, 93 | US9687476, 93)
Show SMILES O[C@@H](Cn1c(nn(Cc2ccnc(n2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H16Cl2F3N5O2/c23-14-7-5-13(6-8-14)20-30-32(21(34)31(20)12-18(33)22(25,26)27)11-15-9-10-28-19(29-15)16-3-1-2-4-17(16)24/h1-10,18,33H,11-12H2/t18-/m0/s1
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n/an/a 100n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192470
PNG
(US9187466, 112 | US9687476, 112)
Show SMILES Clc1ccc(cc1)-c1nn(Cc2cncn2Cc2c(Cl)cccc2Cl)c(=O)n1CC=C
Show InChI InChI=1S/C22H18Cl3N5O/c1-2-10-29-21(15-6-8-16(23)9-7-15)27-30(22(29)31)12-17-11-26-14-28(17)13-18-19(24)4-3-5-20(18)25/h2-9,11,14H,1,10,12-13H2
PDB

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n/an/a 110n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192446
PNG
(US9187466, 17 | US9687476, 17)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(o2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H14Cl2F3N5O3/c21-12-7-5-11(6-8-12)17-28-30(19(32)29(17)9-15(31)20(23,24)25)10-16-26-27-18(33-16)13-3-1-2-4-14(13)22/h1-8,15,31H,9-10H2/t15-/m0/s1
PDB

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n/an/a 120n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192466
PNG
(US9187466, 96 | US9687476, 96)
Show SMILES O[C@@H](Cn1c(nn(Cc2cc(ncn2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H15Cl3F3N5O2/c23-13-6-4-12(5-7-13)20-31-33(21(35)32(20)10-18(34)22(26,27)28)9-14-8-17(30-11-29-14)15-2-1-3-16(24)19(15)25/h1-8,11,18,34H,9-10H2/t18-/m0/s1
PDB

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n/an/a 120n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192447
PNG
(US9187466, 20 | US9687476, 20)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14ClF6N5O2S/c22-12-7-5-11(6-8-12)17-31-33(19(35)32(17)9-15(34)21(26,27)28)10-16-29-30-18(36-16)13-3-1-2-4-14(13)20(23,24)25/h1-8,15,34H,9-10H2/t15-/m0/s1
PDB

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n/an/a 150n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192460
PNG
(US9187466, 83 | US9687476, 83)
Show SMILES O[C@@H](Cn1c(nn(Cc2cnc(o2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14Cl3F3N4O3/c22-12-6-4-11(5-7-12)18-29-31(20(33)30(18)10-16(32)21(25,26)27)9-13-8-28-19(34-13)14-2-1-3-15(23)17(14)24/h1-8,16,32H,9-10H2/t16-/m0/s1
PDB

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n/an/a 230n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192463
PNG
(US9187466, 87 | US9687476, 87)
Show SMILES OC(Cn1c(nn(Cc2cncc(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C23H17Cl2F3N4O2/c24-17-7-5-15(6-8-17)21-30-32(22(34)31(21)13-20(33)23(26,27)28)12-14-9-16(11-29-10-14)18-3-1-2-4-19(18)25/h1-11,20,33H,12-13H2
PDB

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n/an/a 260n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192457
PNG
(US9187466, 74 | US9687476, 74)
Show SMILES O[C@@H](Cn1c(nn(Cc2ccc(s2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H15Cl3F3N3O2S/c23-13-6-4-12(5-7-13)20-29-31(21(33)30(20)11-18(32)22(26,27)28)10-14-8-9-17(34-14)15-2-1-3-16(24)19(15)25/h1-9,18,32H,10-11H2/t18-/m0/s1
PDB

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n/an/a 260n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192464
PNG
(US9187466, 90 | US9687476, 90)
Show SMILES O[C@@H](Cn1c(nn(Cc2ccnc(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H17Cl2F3N4O2/c24-16-7-5-15(6-8-16)21-30-32(22(34)31(21)13-20(33)23(26,27)28)12-14-9-10-29-19(11-14)17-3-1-2-4-18(17)25/h1-11,20,33H,12-13H2/t20-/m0/s1
PDB

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n/an/a 400n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192474
PNG
(US9187466, 135 | US9687476, 135)
Show SMILES NC(=O)c1ccc(cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C25H19Cl2F3N4O3/c26-17-8-5-14(6-9-17)23-32-34(24(37)33(23)13-21(35)25(28,29)30)12-16-11-15(7-10-19(16)22(31)36)18-3-1-2-4-20(18)27/h1-11,21,35H,12-13H2,(H2,31,36)
PDB

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n/an/a 490n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192472
PNG
(US9187466, 122 | US9687476, 122)
Show SMILES OC(Cn1c(nn(Cc2cccc(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C24H18Cl2F3N3O2/c25-18-10-8-16(9-11-18)22-30-32(23(34)31(22)14-21(33)24(27,28)29)13-15-4-3-5-17(12-15)19-6-1-2-7-20(19)26/h1-12,21,33H,13-14H2
PDB

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n/an/a 570n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192470
PNG
(US9187466, 112 | US9687476, 112)
Show SMILES Clc1ccc(cc1)-c1nn(Cc2cncn2Cc2c(Cl)cccc2Cl)c(=O)n1CC=C
Show InChI InChI=1S/C22H18Cl3N5O/c1-2-10-29-21(15-6-8-16(23)9-7-15)27-30(22(29)31)12-17-11-26-14-28(17)13-18-19(24)4-3-5-20(18)25/h2-9,11,14H,1,10,12-13H2
PDB

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n/an/a 820n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192461
PNG
(US9187466, 84 | US9687476, 84)
Show SMILES FC(F)(F)c1cccc(Cc2cnc(Cn3nc(-c4ccc(Cl)cc4)n(C4CC4)c3=O)s2)c1
Show InChI InChI=1S/C23H18ClF3N4OS/c24-17-6-4-15(5-7-17)21-29-30(22(32)31(21)18-8-9-18)13-20-28-12-19(33-20)11-14-2-1-3-16(10-14)23(25,26)27/h1-7,10,12,18H,8-9,11,13H2
PDB

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n/an/a 1.10E+3n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192473
PNG
(US9187466, 132 | US9687476, 132)
Show SMILES OC(Cn1c(nn(Cc2cc(ccc2C(O)=O)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C25H18Cl2F3N3O4/c26-17-8-5-14(6-9-17)22-31-33(24(37)32(22)13-21(34)25(28,29)30)12-16-11-15(7-10-19(16)23(35)36)18-3-1-2-4-20(18)27/h1-11,21,34H,12-13H2,(H,35,36)
PDB

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n/an/a 1.70E+3n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM192462
PNG
(US9187466, 85 | US9687476, 85)
Show SMILES FC(F)(F)c1cccc(Cc2cnc(Cn3nc(-c4ccc(Cl)cc4)n(C4CC4)c3=O)[nH]2)c1
Show InChI InChI=1S/C23H19ClF3N5O/c24-17-6-4-15(5-7-17)21-30-31(22(33)32(21)19-8-9-19)13-20-28-12-18(29-20)11-14-2-1-3-16(10-14)23(25,26)27/h1-7,10,12,19H,8-9,11,13H2,(H,28,29)
PDB

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n/an/a 1.70E+3n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192461
PNG
(US9187466, 84 | US9687476, 84)
Show SMILES FC(F)(F)c1cccc(Cc2cnc(Cn3nc(-c4ccc(Cl)cc4)n(C4CC4)c3=O)s2)c1
Show InChI InChI=1S/C23H18ClF3N4OS/c24-17-6-4-15(5-7-17)21-29-30(22(32)31(21)18-8-9-18)13-20-28-12-19(33-20)11-14-2-1-3-16(10-14)23(25,26)27/h1-7,10,12,18H,8-9,11,13H2
PDB

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n/an/a 9.20E+3n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM192462
PNG
(US9187466, 85 | US9687476, 85)
Show SMILES FC(F)(F)c1cccc(Cc2cnc(Cn3nc(-c4ccc(Cl)cc4)n(C4CC4)c3=O)[nH]2)c1
Show InChI InChI=1S/C23H19ClF3N5O/c24-17-6-4-15(5-7-17)21-30-31(22(33)32(21)19-8-9-19)13-20-28-12-18(29-20)11-14-2-1-3-16(10-14)23(25,26)27/h1-7,10,12,19H,8-9,11,13H2,(H,28,29)
PDB

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n/an/a 9.30E+3n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...

US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
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* indicates data uncertainty>20%