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Patent code US9180120

Compile Data Set for Download or QSAR
Found 38 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 V1a receptor


(Homo sapiens (Human))		BDBM190298
PNG
(US9180120, 2)
Show SMILES NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C24H22ClF6N5O5/c25-15-7-5-13(6-8-15)20-34-36(22(40)35(20)10-18(37)24(29,30)31)11-19(38)33-9-14(12-41-21(32)39)16-3-1-2-4-17(16)23(26,27)28/h1-8,14,18,37H,9-12H2,(H2,32,39)(H,33,38)/t14?,18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190302
PNG
(US9180120, 6)
Show SMILES NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C23H22Cl2F3N5O5/c24-15-7-5-13(6-8-15)20-31-33(22(37)32(20)10-18(34)23(26,27)28)11-19(35)30-9-14(12-38-21(29)36)16-3-1-2-4-17(16)25/h1-8,14,18,34H,9-12H2,(H2,29,36)(H,30,35)/t14?,18-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190348
PNG
(US9180120, 52)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C22H19Cl3F3N5O5/c23-12-6-4-11(5-7-12)19-31-33(21(37)32(19)9-16(34)22(26,27)28)10-17(35)30-8-15(38-20(29)36)13-2-1-3-14(24)18(13)25/h1-7,15-16,34H,8-10H2,(H2,29,36)(H,30,35)/t15?,16-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190343
PNG
(US9180120, 47)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H20Cl2F3N5O5/c23-13-7-5-12(6-8-13)19-30-32(21(36)31(19)10-17(33)22(25,26)27)11-18(34)29-9-16(37-20(28)35)14-3-1-2-4-15(14)24/h1-8,16-17,33H,9-11H2,(H2,28,35)(H,29,34)/t16?,17-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190338
PNG
(US9180120, 42)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H20ClF6N5O5/c24-13-7-5-12(6-8-13)19-33-35(21(39)34(19)10-17(36)23(28,29)30)11-18(37)32-9-16(40-20(31)38)14-3-1-2-4-15(14)22(25,26)27/h1-8,16-17,36H,9-11H2,(H2,31,38)(H,32,37)/t16?,17-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190349
PNG
(US9180120, 53)
Show SMILES OC[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C23H21ClF6N4O4/c24-16-6-4-14(5-7-16)20-32-34(21(38)33(20)10-18(36)23(28,29)30)11-19(37)31-17(12-35)9-13-2-1-3-15(8-13)22(25,26)27/h1-8,17-18,35-36H,9-12H2,(H,31,37)/t17-,18+/m1/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190309
PNG
(US9180120, 13)
Show SMILES CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C27H28ClF6N5O5/c1-25(2,3)44-23(42)36-19(17-6-4-5-7-18(17)26(29,30)31)12-35-21(41)14-39-24(43)38(13-20(40)27(32,33)34)22(37-39)15-8-10-16(28)11-9-15/h4-11,19-20,40H,12-14H2,1-3H3,(H,35,41)(H,36,42)/t19?,20-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190305
PNG
(US9180120, 9)
Show SMILES NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H22ClF6N5O5/c25-17-6-4-13(5-7-17)20-34-36(22(40)35(20)10-18(37)24(29,30)31)11-19(38)33-9-15(12-41-21(32)39)14-2-1-3-16(8-14)23(26,27)28/h1-8,15,18,37H,9-12H2,(H2,32,39)(H,33,38)/t15?,18-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190321
PNG
(US9180120, 25)
Show SMILES CS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H22Cl2F3N5O5S/c1-38(36,37)30-17(15-4-2-3-5-16(15)24)10-28-19(34)12-32-21(35)31(11-18(33)22(25,26)27)20(29-32)13-6-8-14(23)9-7-13/h2-9,17-18,30,33H,10-12H2,1H3,(H,28,34)/t17?,18-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190343
PNG
(US9180120, 47)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H20Cl2F3N5O5/c23-13-7-5-12(6-8-13)19-30-32(21(36)31(19)10-17(33)22(25,26)27)11-18(34)29-9-16(37-20(28)35)14-3-1-2-4-15(14)24/h1-8,16-17,33H,9-11H2,(H2,28,35)(H,29,34)/t16?,17-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190348
PNG
(US9180120, 52)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C22H19Cl3F3N5O5/c23-12-6-4-11(5-7-12)19-31-33(21(37)32(19)9-16(34)22(26,27)28)10-17(35)30-8-15(38-20(29)36)13-2-1-3-14(24)18(13)25/h1-7,15-16,34H,8-10H2,(H2,29,36)(H,30,35)/t15?,16-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190338
PNG
(US9180120, 42)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H20ClF6N5O5/c24-13-7-5-12(6-8-13)19-33-35(21(39)34(19)10-17(36)23(28,29)30)11-18(37)32-9-16(40-20(31)38)14-3-1-2-4-15(14)22(25,26)27/h1-8,16-17,36H,9-11H2,(H2,31,38)(H,32,37)/t16?,17-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190321
PNG
(US9180120, 25)
Show SMILES CS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H22Cl2F3N5O5S/c1-38(36,37)30-17(15-4-2-3-5-16(15)24)10-28-19(34)12-32-21(35)31(11-18(33)22(25,26)27)20(29-32)13-6-8-14(23)9-7-13/h2-9,17-18,30,33H,10-12H2,1H3,(H,28,34)/t17?,18-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190329
PNG
(US9180120, 33)
Show SMILES NC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H21Cl2F3N6O4/c23-13-7-5-12(6-8-13)19-31-33(21(37)32(19)10-17(34)22(25,26)27)11-18(35)29-9-16(30-20(28)36)14-3-1-2-4-15(14)24/h1-8,16-17,34H,9-11H2,(H,29,35)(H3,28,30,36)/t16?,17-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190306
PNG
(US9180120, 10)
Show SMILES CCNC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H26ClF6N5O5/c1-2-34-23(41)43-14-17(16-4-3-5-18(10-16)25(28,29)30)11-35-21(40)13-38-24(42)37(12-20(39)26(31,32)33)22(36-38)15-6-8-19(27)9-7-15/h3-10,17,20,39H,2,11-14H2,1H3,(H,34,41)(H,35,40)/t17?,20-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190335
PNG
(US9180120, 39)
Show SMILES CC(=O)NC(C)(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H24ClF6N5O4/c1-14(38)34-23(2,16-4-3-5-17(10-16)24(27,28)29)13-33-20(40)12-37-22(41)36(11-19(39)25(30,31)32)21(35-37)15-6-8-18(26)9-7-15/h3-10,19,39H,11-13H2,1-2H3,(H,33,40)(H,34,38)/t19-,23?/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190353
PNG
(US9180120, 57)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C26H22Cl2FN5O4/c27-18-11-9-16(10-12-18)24-32-34(26(37)33(24)14-17-5-1-4-8-21(17)29)15-23(35)31-13-22(38-25(30)36)19-6-2-3-7-20(19)28/h1-12,22H,13-15H2,(H2,30,36)(H,31,35)
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190315
PNG
(US9180120, 19)
Show SMILES CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C26H27Cl3F3N5O5/c1-25(2,3)42-23(40)34-18(16-5-4-6-17(28)21(16)29)11-33-20(39)13-37-24(41)36(12-19(38)26(30,31)32)22(35-37)14-7-9-15(27)10-8-14/h4-10,18-19,38H,11-13H2,1-3H3,(H,33,39)(H,34,40)/t18?,19-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190302
PNG
(US9180120, 6)
Show SMILES NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C23H22Cl2F3N5O5/c24-15-7-5-13(6-8-15)20-31-33(22(37)32(20)10-18(34)23(26,27)28)11-19(35)30-9-14(12-38-21(29)36)16-3-1-2-4-17(16)25/h1-8,14,18,34H,9-12H2,(H2,29,36)(H,30,35)/t14?,18-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190332
PNG
(US9180120, 36)
Show SMILES O[C@@H](Cn1c(nn(CC(=O)NCC(NC=O)c2cccc(c2)C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H20ClF6N5O4/c24-16-6-4-13(5-7-16)20-33-35(21(39)34(20)10-18(37)23(28,29)30)11-19(38)31-9-17(32-12-36)14-2-1-3-15(8-14)22(25,26)27/h1-8,12,17-18,37H,9-11H2,(H,31,38)(H,32,36)/t17?,18-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190315
PNG
(US9180120, 19)
Show SMILES CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C26H27Cl3F3N5O5/c1-25(2,3)42-23(40)34-18(16-5-4-6-17(28)21(16)29)11-33-20(39)13-37-24(41)36(12-19(38)26(30,31)32)22(35-37)14-7-9-15(27)10-8-14/h4-10,18-19,38H,11-13H2,1-3H3,(H,33,39)(H,34,40)/t18?,19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190355
PNG
(US9180120, 59)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2F3N5O4/c23-14-7-5-13(6-8-14)19-30-32(21(35)31(19)10-9-22(25,26)27)12-18(33)29-11-17(36-20(28)34)15-3-1-2-4-16(15)24/h1-8,17H,9-12H2,(H2,28,34)(H,29,33)
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n/an/a 14n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190349
PNG
(US9180120, 53)
Show SMILES OC[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O |r|
Show InChI InChI=1S/C23H21ClF6N4O4/c24-16-6-4-14(5-7-16)20-32-34(21(38)33(20)10-18(36)23(28,29)30)11-19(37)31-17(12-35)9-13-2-1-3-15(8-13)22(25,26)27/h1-8,17-18,35-36H,9-12H2,(H,31,37)/t17-,18+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190298
PNG
(US9180120, 2)
Show SMILES NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C24H22ClF6N5O5/c25-15-7-5-13(6-8-15)20-34-36(22(40)35(20)10-18(37)24(29,30)31)11-19(38)33-9-14(12-41-21(32)39)16-3-1-2-4-17(16)23(26,27)28/h1-8,14,18,37H,9-12H2,(H2,32,39)(H,33,38)/t14?,18-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190329
PNG
(US9180120, 33)
Show SMILES NC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C22H21Cl2F3N6O4/c23-13-7-5-12(6-8-13)19-31-33(21(37)32(19)10-17(34)22(25,26)27)11-18(35)29-9-16(30-20(28)36)14-3-1-2-4-15(14)24/h1-8,16-17,34H,9-11H2,(H,29,35)(H3,28,30,36)/t16?,17-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190363
PNG
(US9180120, 67)
Show SMILES CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H28ClF4N5O4S/c1-28(2,3)43-26(41)36-21(18-9-5-6-10-19(18)29(32,33)34)14-35-24(40)16-39-27(42)38(15-17-8-4-7-11-20(17)31)25(37-39)22-12-13-23(30)44-22/h4-13,21H,14-16H2,1-3H3,(H,35,40)(H,36,41)
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n/an/a 18n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190332
PNG
(US9180120, 36)
Show SMILES O[C@@H](Cn1c(nn(CC(=O)NCC(NC=O)c2cccc(c2)C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H20ClF6N5O4/c24-16-6-4-13(5-7-16)20-33-35(21(39)34(20)10-18(37)23(28,29)30)11-19(38)31-9-17(32-12-36)14-2-1-3-15(8-14)22(25,26)27/h1-8,12,17-18,37H,9-11H2,(H,31,38)(H,32,36)/t17?,18-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190353
PNG
(US9180120, 57)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C26H22Cl2FN5O4/c27-18-11-9-16(10-12-18)24-32-34(26(37)33(24)14-17-5-1-4-8-21(17)29)15-23(35)31-13-22(38-25(30)36)19-6-2-3-7-20(19)28/h1-12,22H,13-15H2,(H2,30,36)(H,31,35)
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n/an/a 22n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190306
PNG
(US9180120, 10)
Show SMILES CCNC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H26ClF6N5O5/c1-2-34-23(41)43-14-17(16-4-3-5-18(10-16)25(28,29)30)11-35-21(40)13-38-24(42)37(12-20(39)26(31,32)33)22(36-38)15-6-8-19(27)9-7-15/h3-10,17,20,39H,2,11-14H2,1H3,(H,34,41)(H,35,40)/t17?,20-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190335
PNG
(US9180120, 39)
Show SMILES CC(=O)NC(C)(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H24ClF6N5O4/c1-14(38)34-23(2,16-4-3-5-17(10-16)24(27,28)29)13-33-20(40)12-37-22(41)36(11-19(39)25(30,31)32)21(35-37)15-6-8-18(26)9-7-15/h3-10,19,39H,11-13H2,1-2H3,(H,33,40)(H,34,38)/t19-,23?/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190355
PNG
(US9180120, 59)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2F3N5O4/c23-14-7-5-13(6-8-14)19-30-32(21(35)31(19)10-9-22(25,26)27)12-18(33)29-11-17(36-20(28)34)15-3-1-2-4-16(15)24/h1-8,17H,9-12H2,(H2,28,34)(H,29,33)
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190362
PNG
(US9180120, 66)
Show SMILES COCCn1c(nn(CC(=O)NCC(NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H29ClF3N5O5S/c1-24(2,3)39-22(36)31-17(15-7-5-6-8-16(15)25(27,28)29)13-30-20(35)14-34-23(37)33(11-12-38-4)21(32-34)18-9-10-19(26)40-18/h5-10,17H,11-14H2,1-4H3,(H,30,35)(H,31,36)
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n/an/a 51n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190305
PNG
(US9180120, 9)
Show SMILES NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C24H22ClF6N5O5/c25-17-6-4-13(5-7-17)20-34-36(22(40)35(20)10-18(37)24(29,30)31)11-19(38)33-9-15(12-41-21(32)39)14-2-1-3-16(8-14)23(26,27)28/h1-8,15,18,37H,9-12H2,(H2,32,39)(H,33,38)/t15?,18-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190309
PNG
(US9180120, 13)
Show SMILES CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C27H28ClF6N5O5/c1-25(2,3)44-23(42)36-19(17-6-4-5-7-18(17)26(29,30)31)12-35-21(41)14-39-24(43)38(13-20(40)27(32,33)34)22(37-39)15-8-10-16(28)11-9-15/h4-11,19-20,40H,12-14H2,1-3H3,(H,35,41)(H,36,42)/t19?,20-/m0/s1
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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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM190365
PNG
(US9180120, 69)
Show SMILES COCCn1c(nn(CC(=O)NCC(NS(C)(=O)=O)c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)s1
Show InChI InChI=1S/C21H23ClF3N5O5S2/c1-35-10-9-29-19(16-7-8-17(22)36-16)27-30(20(29)32)12-18(31)26-11-15(28-37(2,33)34)13-5-3-4-6-14(13)21(23,24)25/h3-8,15,28H,9-12H2,1-2H3,(H,26,31)
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n/an/a 130n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190363
PNG
(US9180120, 67)
Show SMILES CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H28ClF4N5O4S/c1-28(2,3)43-26(41)36-21(18-9-5-6-10-19(18)29(32,33)34)14-35-24(40)16-39-27(42)38(15-17-8-4-7-11-20(17)31)25(37-39)22-12-13-23(30)44-22/h4-13,21H,14-16H2,1-3H3,(H,35,40)(H,36,41)
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n/an/a 300n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190362
PNG
(US9180120, 66)
Show SMILES COCCn1c(nn(CC(=O)NCC(NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H29ClF3N5O5S/c1-24(2,3)39-22(36)31-17(15-7-5-6-8-16(15)25(27,28)29)13-30-20(35)14-34-23(37)33(11-12-38-4)21(32-34)18-9-10-19(26)40-18/h5-10,17H,11-14H2,1-4H3,(H,30,35)(H,31,36)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM190365
PNG
(US9180120, 69)
Show SMILES COCCn1c(nn(CC(=O)NCC(NS(C)(=O)=O)c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)s1
Show InChI InChI=1S/C21H23ClF3N5O5S2/c1-35-10-9-29-19(16-7-8-17(22)36-16)27-30(20(29)32)12-18(31)26-11-15(28-37(2,33)34)13-5-3-4-6-14(13)21(23,24)25/h3-8,15,28H,9-12H2,1-2H3,(H,26,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.50E+3n/an/an/an/an/an/a



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 microtitre plates an...

US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%