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Compile Data Set for Download or QSAR

Found 901 hits with Last Name = 'schmeck' and Initial = 'c'   
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))		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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2348PGH
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 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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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))		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 |r|
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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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)


BindingDB Entry DOI: 10.7270/Q2348PGH
More data for this
Ligand-Target Pair
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|
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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))		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|
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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 US9187466 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02MT
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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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 US9187466 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02MT
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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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
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531586
PNG
(US11208400, Example 219 | ethyl 1-(6-{[1-(4-cyanop...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cc(Nc2c(C)nn(c2C)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531488
PNG
(N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl...)
Show SMILES CCc1c(Nc2cc(ncn2)-n2nc(C)cc2C)n(CC2CC2)nc1-c1ccc(F)cc1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531920
PNG
(4-[5-{[6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4...)
Show SMILES COCCn1nc(c(C)c1Nc1cc(ncn1)-n1nc(C)cc1C)-c1ccc(cc1)C#N
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531482
PNG
(6-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(cy...)
Show SMILES CCc1c(Nc2cc(ncn2)-n2nc(C)c(Cl)c2C)n(CC2CC2)nc1-c1ccc(F)cc1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531919
PNG
(4-[5-({6-[5-(difluoromethyl)-3-methyl-1H-pyrazol-1...)
Show SMILES COCCn1nc(c(C)c1Nc1cc(ncn1)-n1nc(C)cc1C(F)F)-c1ccc(cc1)C#N
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531777
PNG
(4-[3-({6-[5-(difluoromethyl)-3-methyl-1H-pyrazol-1...)
Show SMILES COc1c(Nc2cc(ncn2)-n2nc(C)cc2C(F)F)nn(C)c1-c1ccc(cc1)C#N
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
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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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 US9187466 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02MT
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531622
PNG
(4-(3-{[6-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)pyr...)
Show SMILES Cc1nn(c(C)c1Br)-c1cc(Nc2nn(C)c(c2C)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531709
PNG
((�)-4-{1-(cyclopropylmethyl)-5-[(6-{4-[1-et...)
Show SMILES CCOC(C)c1c(C)nn(c1C)-c1cc(Nc2c(C)c(nn2CC2CC2)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531428
PNG
(US11208400, Example 356 | US11208400, Example 61 |...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cc(Nc2nn(C)c(c2C)-c2ccc(F)cc2)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531523
PNG
(US11208400, Example 156 | ethyl 1-(6-{[3-(4-cyanop...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cc(Nc2c(CC)c(nn2CC2CC2)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531528
PNG
(4-[1-(cyclopropylmethyl)-5-{[6-(3,5-dimethyl-1H-py...)
Show SMILES CCc1c(Nc2cc(ncn2)-n2nc(C)cc2C)n(CC2CC2)nc1-c1ccc(cc1)C#N
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531563
PNG
(4-(3-{[6-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)py...)
Show SMILES Cc1nn(c(C)c1Cl)-c1cc(Nc2nn(C)c(c2C)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531580
PNG
(US11208400, Example 213 | ethyl 1-(6-{[3-(4-cyanop...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cc(Nc2c(C)c(nn2C)-c2ccc(cc2)C#N)ncn1
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Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531584
PNG
(4-[3-({6-[5-(difluoromethyl)-3-methyl-1H-pyrazol-1...)
Show SMILES CCc1c(Nc2cc(ncn2)-n2nc(C)cc2C(F)F)nn(C)c1-c1ccc(cc1)C#N
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531598
PNG
(4-[1-(cyclopropylmethyl)-4-methyl-5-{[6-(3-methyl-...)
Show SMILES Cc1nn(-c2cc(Nc3c(C)c(nn3CC3CC3)-c3ccc(cc3)C#N)ncn2)c2cnccc12
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531831
PNG
(4-[1-(cyclopropylmethyl)-5-{[6-(4-methoxy-3,5-dime...)
Show SMILES COc1c(C)nn(c1C)-c1cc(Nc2c(C)c(nn2CC2CC2)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
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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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))		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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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))		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))		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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2348PGH
More data for this
Ligand-Target Pair
Vasopressin V2 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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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)


BindingDB Entry DOI: 10.7270/Q2348PGH
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531773
PNG
(6-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(cyc...)
Show SMILES Cc1nn(c(C)c1Br)-c1cc(Nc2c(C)c(nn2CC2CC2)-c2ccc(F)cc2)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531781
PNG
(6-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-(4-...)
Show SMILES COCCn1nc(c(C)c1Nc1cc(ncn1)-n1nc(C)c(Cl)c1C)-c1ccc(F)cc1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
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
Cholesteryl ester transfer protein


(Homo sapiens (Human))		BDBM50312718
PNG
(CHEMBL479527 | torcetrapib)
Show SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of human plasma CETP assessed as [3H]cholesterol ester transfer after 18 hrs by scintillation proximity assay

Bioorg Med Chem Lett 20: 1740-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.071
BindingDB Entry DOI: 10.7270/Q28S4Q1P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531603
PNG
(4-[3-({6-[5-(difluoromethyl)-3-methyl-1H-pyrazol-1...)
Show SMILES Cc1cc(C(F)F)n(n1)-c1cc(Nc2nn(C)c(c2C)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531837
PNG
(N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1-methyl...)
Show SMILES COc1c(C)nn(c1C)-c1cc(Nc2nn(C)c(c2OC(F)F)-c2ccc(F)cc2)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531864
PNG
(1-(6-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-...)
Show SMILES CC(=O)Oc1c(C)nn(c1C)-c1cc(Nc2c(C)c(nn2CC2CC2)-c2ccc(F)cc2)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531864
PNG
(1-(6-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-...)
Show SMILES CC(=O)Oc1c(C)nn(c1C)-c1cc(Nc2c(C)c(nn2CC2CC2)-c2ccc(F)cc2)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531508
PNG
(4-[1-(cyclopropylmethyl)-5-{[6-(3,5-dimethyl-1H-py...)
Show SMILES Cc1cc(C)n(n1)-c1cc(Nc2c(C)c(nn2CC2CC2)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531509
PNG
(4-[1-(cyclopropylmethyl)-5-{(6-[5-(difluoromethyl)...)
Show SMILES Cc1cc(C(F)F)n(n1)-c1cc(Nc2c(C)c(nn2CC2CC2)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531514
PNG
(US11208400, Example 147 | ethyl 1-(6-{[1-(cyclopro...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cc(Nc2c(CC)c(nn2CC2CC2)-c2ccc(F)cc2)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531517
PNG
(4-[5-{[6-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)py...)
Show SMILES Cc1nn(c(C)c1Cl)-c1cc(Nc2c(C)c(nn2CC2CC2)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531521
PNG
(4-[5-({6-[4-chloro-5-(difluoromethyl)-3-methyl-1H-...)
Show SMILES Cc1nn(c(C(F)F)c1Cl)-c1cc(Nc2c(C)c(nn2CC2CC2)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531532
PNG
(4-[1-(cyclopropylmethyl)-5-({6-[4-(2-hydroxypropan...)
Show SMILES Cc1nn(c(C)c1C(C)(C)O)-c1cc(Nc2c(C)c(nn2CC2CC2)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531558
PNG
(6-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-[4-ethy...)
Show SMILES CCc1c(Nc2cc(ncn2)-n2nc(C)c(Br)c2C)nn(C)c1-c1ccc(F)cc1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531562
PNG
(2-[4-chloro-1-(6-{[4-ethyl-5-(4-fluorophenyl)-1-me...)
Show SMILES CCc1c(Nc2cc(ncn2)-n2nc(C)c(Cl)c2C(C)(C)O)nn(C)c1-c1ccc(F)cc1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531571
PNG
(N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-meth...)
Show SMILES Cc1nn(-c2cc(Nc3c(C)c(nn3CC3CC3)-c3ccc(F)cc3)ncn2)c2cnccc12
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531602
PNG
(4-[3-({6-[4-chloro-5-(difluoromethyl)-3-methyl-1H-...)
Show SMILES Cc1nn(c(C(F)F)c1Cl)-c1cc(Nc2nn(C)c(c2C)-c2ccc(cc2)C#N)ncn1
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)		BDBM531406
PNG
(N-[4-chloro-3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]-6-...)
Show SMILES CCOc1ccc(cc1)-c1n[nH]c(Nc2cc(ncn2)-n2nc(C)cc2C)c1Cl
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TBA

Assay Description
For measuring Npt2a activity in a cell based assay, a stable CHO cell line with inducible Npt2a expression was generated. Therefore, CHO T-Rex cells ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN487V
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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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
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