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Compile Data Set for Download or QSAR

Found 272 hits with Last Name = 'kitano' and Initial = 'k'   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50377933
PNG
(CHEMBL1744354)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccc(cn1)C#N |r|
Show InChI InChI=1S/C15H17FN6O/c16-12-5-13(7-18)22(10-12)15(23)9-19-3-4-20-14-2-1-11(6-17)8-21-14/h1-2,8,12-13,19H,3-5,9-10H2,(H,20,21)/t12-,13-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242595
PNG
(CHEMBL487860 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccc2nn[nH]c2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C18H22FN7O2/c1-18(2,22-8-16(27)26-9-12(19)6-13(26)7-20)10-21-17(28)11-3-4-14-15(5-11)24-25-23-14/h3-5,12-13,22H,6,8-10H2,1-2H3,(H,21,28)(H,23,24,25)/t12-,13-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242577
PNG
(6-{[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl...)
Show SMILES NC(=O)c1ccc(NCCNCC(=O)N2C[C@@H](F)C[C@H]2C#N)nc1 |r|
Show InChI InChI=1S/C15H19FN6O2/c16-11-5-12(6-17)22(9-11)14(23)8-19-3-4-20-13-2-1-10(7-21-13)15(18)24/h1-2,7,11-12,19H,3-5,8-9H2,(H2,18,24)(H,20,21)/t11-,12-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242517
PNG
((2S,4S)-1-(N-Cyclopentylglycyl)-4-fluoropyrrolidin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCCC1 |r|
Show InChI InChI=1S/C12H18FN3O/c13-9-5-11(6-14)16(8-9)12(17)7-15-10-3-1-2-4-10/h9-11,15H,1-5,7-8H2/t9-,11-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242576
PNG
((2S,4S)-1-(N-{2-[(5-Chloropyridin-2-yl)amino]ethyl...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C14H17ClFN5O/c15-10-1-2-13(20-7-10)19-4-3-18-8-14(22)21-9-11(16)5-12(21)6-17/h1-2,7,11-12,18H,3-5,8-9H2,(H,19,20)/t11-,12-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242575
PNG
((2S,4S)-4-Fluoro-1-{N-[2-(pyridin-2-ylamino)ethyl]...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNCCNc1ccccn1 |r|
Show InChI InChI=1S/C14H18FN5O/c15-11-7-12(8-16)20(10-11)14(21)9-17-5-6-19-13-3-1-2-4-18-13/h1-4,11-12,17H,5-7,9-10H2,(H,18,19)/t11-,12-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242495
PNG
((2S,4S)-1-[N-(tert-Butyl)glycyl]-4-fluoropyrrolidi...)
Show SMILES CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C11H18FN3O/c1-11(2,3)14-6-10(16)15-7-8(12)4-9(15)5-13/h8-9,14H,4,6-7H2,1-3H3/t8-,9-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242593
PNG
(CHEMBL488036 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccc2OCCc2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C20H25FN4O3/c1-20(2,24-10-18(26)25-11-15(21)8-16(25)9-22)12-23-19(27)14-3-4-17-13(7-14)5-6-28-17/h3-4,7,15-16,24H,5-6,8,10-12H2,1-2H3,(H,23,27)/t15-,16-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35718
PNG
(benzazepine derivative, 20)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2cc(Cl)ccc12
Show InChI InChI=1S/C25H23ClN2O3/c1-16-5-2-3-6-20(16)24(30)27-19-11-8-17(9-12-19)25(31)28-14-4-7-23(29)21-15-18(26)10-13-22(21)28/h2-3,5-6,8-13,15,23,29H,4,7,14H2,1H3,(H,27,30)
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n/an/a 3n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242530
PNG
((2S,4S)-1-(N-2-Adamantylglycyl)-4-fluoropyrrolidin...)
Show InChI InChI=1S/C17H24FN3O/c18-14-6-15(7-19)21(9-14)16(22)8-20-17-12-2-10-1-11(4-12)5-13(17)3-10/h10-15,17,20H,1-6,8-9H2/t10?,11?,12?,13?,14-,15-,17?/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242516
PNG
((2S,4S)-1-(N-Cyclobutylglycyl)-4-fluoropyrrolidine...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCC1 |r|
Show InChI InChI=1S/C11H16FN3O/c12-8-4-10(5-13)15(7-8)11(16)6-14-9-2-1-3-9/h8-10,14H,1-4,6-7H2/t8-,10-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242531
PNG
((2S,4S)-4-Fluoro-1-[N-(3-hydroxy-1-adamantyl)-glyc...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r,TLB:9:8:2.3.4:6,11:8:2:4.5.6,THB:9:3:6:10.8.7,7:8:2:4.5.6,7:5:2:10.9.8|
Show InChI InChI=1S/C17H24FN3O2/c18-13-2-14(7-19)21(9-13)15(22)8-20-16-3-11-1-12(4-16)6-17(23,5-11)10-16/h11-14,20,23H,1-6,8-10H2/t11?,12?,13-,14-,16?,17?/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242519
PNG
((2S,4S)-1-(N-Cyclooctylglycyl)-4-fluoropyrrolidine...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC1CCCCCCC1 |r|
Show InChI InChI=1S/C15H24FN3O/c16-12-8-14(9-17)19(11-12)15(20)10-18-13-6-4-2-1-3-5-7-13/h12-14,18H,1-8,10-11H2/t12-,14-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242518
PNG
((2S,4S)-4-Fluoro-1-{N-[1-(hydroxymethyl)cyclopenty...)
Show SMILES OCC1(CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C13H20FN3O2/c14-10-5-11(6-15)17(8-10)12(19)7-16-13(9-18)3-1-2-4-13/h10-11,16,18H,1-5,7-9H2/t10-,11-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242529
PNG
((2S,4S)-1-(N-1-Adamantylglycyl)-4-fluoropyrrolidin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC12CC3CC(CC(C3)C1)C2 |r,TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C17H24FN3O/c18-14-4-15(8-19)21(10-14)16(22)9-20-17-5-11-1-12(6-17)3-13(2-11)7-17/h11-15,20H,1-7,9-10H2/t11?,12?,13?,14-,15-,17?/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242579
PNG
(CHEMBL488418 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccccc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C18H23FN4O2/c1-18(2,12-21-17(25)13-6-4-3-5-7-13)22-10-16(24)23-11-14(19)8-15(23)9-20/h3-7,14-15,22H,8,10-12H2,1-2H3,(H,21,25)/t14-,15-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242513
PNG
((2S,4S)-4-Fluoro-1-[N-(2-hydroxy-1,1-dimethylethyl...)
Show SMILES CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C11H18FN3O2/c1-11(2,7-16)14-5-10(17)15-6-8(12)3-9(15)4-13/h8-9,14,16H,3,5-7H2,1-2H3/t8-,9-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35725
PNG
(benzazepine derivative, 34)
Show SMILES COc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCC(O)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H25ClN2O4/c1-16-6-3-4-7-19(16)25(31)28-21-11-9-17(14-24(21)33-2)26(32)29-13-5-8-23(30)20-15-18(27)10-12-22(20)29/h3-4,6-7,9-12,14-15,23,30H,5,8,13H2,1-2H3,(H,28,31)
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n/an/a 5n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35719
PNG
(benzazepine derivative, 21)
Show SMILES COC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C26H25ClN2O3/c1-17-6-3-4-7-21(17)25(30)28-20-12-9-18(10-13-20)26(31)29-15-5-8-24(32-2)22-16-19(27)11-14-23(22)29/h3-4,6-7,9-14,16,24H,5,8,15H2,1-2H3,(H,28,30)
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n/an/a 5n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242533
PNG
((2S,4S)-4-Fluoro-1-[N-(5-hydroxy-2-adamantyl)-glyc...)
Show InChI InChI=1S/C17H24FN3O2/c18-13-3-14(7-19)21(9-13)15(22)8-20-16-11-1-10-2-12(16)6-17(23,4-10)5-11/h10-14,16,20,23H,1-6,8-9H2/t10?,11?,12?,13-,14-,16?,17?/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242580
PNG
(CHEMBL488419 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1cccs1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H21FN4O2S/c1-16(2,10-19-15(23)13-4-3-5-24-13)20-8-14(22)21-9-11(17)6-12(21)7-18/h3-5,11-12,20H,6,8-10H2,1-2H3,(H,19,23)/t11-,12-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242594
PNG
(CHEMBL519585 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccc2nc[nH]c2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C19H23FN6O2/c1-19(2,25-8-17(27)26-9-13(20)6-14(26)7-21)10-22-18(28)12-3-4-15-16(5-12)24-11-23-15/h3-5,11,13-14,25H,6,8-10H2,1-2H3,(H,22,28)(H,23,24)/t13-,14-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242596
PNG
(CHEMBL487861 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(C)C(=O)NCC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H27FN4O2/c1-15(2,3)14(23)19-10-16(4,5)20-8-13(22)21-9-11(17)6-12(21)7-18/h11-12,20H,6,8-10H2,1-5H3,(H,19,23)/t11-,12-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242476
PNG
(CHEMBL471088 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CN(Cc1ccc(cc1)C#N)C(=O)c1ccccc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C26H28FN5O2/c1-26(2,30-15-24(33)32-17-22(27)12-23(32)14-29)18-31(25(34)21-6-4-3-5-7-21)16-20-10-8-19(13-28)9-11-20/h3-11,22-23,30H,12,15-18H2,1-2H3/t22-,23-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35725
PNG
(benzazepine derivative, 34)
Show SMILES COc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCC(O)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H25ClN2O4/c1-16-6-3-4-7-19(16)25(31)28-21-11-9-17(14-24(21)33-2)26(32)29-13-5-8-23(30)20-15-18(27)10-12-22(20)29/h3-4,6-7,9-12,14-15,23,30H,5,8,13H2,1-2H3,(H,28,31)
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n/an/a 7n/an/an/an/an/an/a



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11113
PNG
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35715
PNG
(benzazepine derivative, 13a)
Show SMILES CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C26H26ClN3O2/c1-17-6-3-4-7-21(17)25(31)29-20-12-9-18(10-13-20)26(32)30-15-5-8-23(28-2)22-16-19(27)11-14-24(22)30/h3-4,6-7,9-14,16,23,28H,5,8,15H2,1-2H3,(H,29,31)
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n/an/a 7n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242475
PNG
(CHEMBL470893 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)CN(CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H31FN4O2/c1-16(2)13-26(21(29)17-8-6-5-7-9-17)15-22(3,4)25-12-20(28)27-14-18(23)10-19(27)11-24/h5-9,16,18-19,25H,10,12-15H2,1-4H3/t18-,19-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242496
PNG
((2S,4S)-4-Fluoro-1-(N-isopropylglycyl)pyrrolidine-...)
Show SMILES CC(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C10H16FN3O/c1-7(2)13-5-10(15)14-6-8(11)3-9(14)4-12/h7-9,13H,3,5-6H2,1-2H3/t8-,9-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35721
PNG
(benzazepine derivative, 30)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(Cl)c1
Show InChI InChI=1S/C25H22Cl2N2O3/c1-15-5-2-3-6-18(15)24(31)28-17-9-10-19(21(27)14-17)25(32)29-12-4-7-23(30)20-13-16(26)8-11-22(20)29/h2-3,5-6,8-11,13-14,23,30H,4,7,12H2,1H3,(H,28,31)
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n/an/a 8n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242578
PNG
(CHEMBL487681 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)c1ccccn1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C17H22FN5O2/c1-17(2,11-21-16(25)14-5-3-4-6-20-14)22-9-15(24)23-10-12(18)7-13(23)8-19/h3-6,12-13,22H,7,9-11H2,1-2H3,(H,21,25)/t12-,13-/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242532
PNG
((2S,4S)-4-Fluoro-1-[N-(3-methoxy-1-adamantyl)-glyc...)
Show SMILES COC12CC3CC(CC(C3)(C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N)C2 |r,TLB:9:4:23:10.8.7,9:8:3.4.5:23,11:8:3:5.6.23,THB:7:8:3:5.6.23,7:6:3:10.9.8|
Show InChI InChI=1S/C18H26FN3O2/c1-24-18-6-12-2-13(7-18)5-17(4-12,11-18)21-9-16(23)22-10-14(19)3-15(22)8-20/h12-15,21H,2-7,9-11H2,1H3/t12?,13?,14-,15-,17?,18?/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242478
PNG
((2S,4S)-4-Fluoro-1-{N-[1-(2-furyl)-1-methylethyl]-...)
Show SMILES CC(C)(NCC(=O)N1C[C@@H](F)C[C@H]1C#N)c1ccco1 |r|
Show InChI InChI=1S/C14H18FN3O2/c1-14(2,12-4-3-5-20-12)17-8-13(19)18-9-10(15)6-11(18)7-16/h3-5,10-11,17H,6,8-9H2,1-2H3/t10-,11-/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242497
PNG
((2S,4S)-4-Fluoro-1-[N-(3-isopropoxypropyl)glycyl]p...)
Show SMILES CC(C)OCCCNCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C13H22FN3O2/c1-10(2)19-5-3-4-16-8-13(18)17-9-11(14)6-12(17)7-15/h10-12,16H,3-6,8-9H2,1-2H3/t11-,12-/m0/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35720
PNG
(benzazepine derivative, 22)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(OCC=C)c2cc(Cl)ccc12
Show InChI InChI=1S/C28H27ClN2O3/c1-3-17-34-26-9-6-16-31(25-15-12-21(29)18-24(25)26)28(33)20-10-13-22(14-11-20)30-27(32)23-8-5-4-7-19(23)2/h3-5,7-8,10-15,18,26H,1,6,9,16-17H2,2H3,(H,30,32)
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n/an/a 9n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35714
PNG
(CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)
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n/an/a 12n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242491
PNG
((2S,4S)-4-Fluoro-1-{N-[1-methyl-1-(2-thienyl)-ethy...)
Show SMILES CC(C)(NCC(=O)N1C[C@@H](F)C[C@H]1C#N)c1cccs1 |r|
Show InChI InChI=1S/C14H18FN3OS/c1-14(2,12-4-3-5-20-12)17-8-13(19)18-9-10(15)6-11(18)7-16/h3-5,10-11,17H,6,8-9H2,1-2H3/t10-,11-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM35714
PNG
(CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)
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n/an/a 12n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50377932
PNG
(CHEMBL1203962)
Show SMILES COCC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C12H20FN3O2/c1-12(2,8-18-3)15-6-11(17)16-7-9(13)4-10(16)5-14/h9-10,15H,4,6-8H2,1-3H3/t9-,10-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242597
PNG
(CHEMBL487862 | N-[2-({2-[(2S,4S)-2-Cyano-4-fluorop...)
Show SMILES CC(C)(CNC(=O)C1(C)CCCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C19H31FN4O2/c1-18(2,13-22-17(26)19(3)7-5-4-6-8-19)23-11-16(25)24-12-14(20)9-15(24)10-21/h14-15,23H,4-9,11-13H2,1-3H3,(H,22,26)/t14-,15-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50052948
PNG
(CHEMBL324251 | N-{4-[5-(Carbamoylmethyl-methyl-ami...)
Show SMILES CN(CC(N)=O)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Show InChI InChI=1S/C28H30N4O3/c1-19-8-3-4-9-22(19)27(34)30-21-15-13-20(14-16-21)28(35)32-17-7-12-24(31(2)18-26(29)33)23-10-5-6-11-25(23)32/h3-6,8-11,13-16,24H,7,12,17-18H2,1-2H3,(H2,29,33)(H,30,34)
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n/an/a 13n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50052924
PNG
(2,4-Dichloro-N-[4-(5-dimethylamino-2,3,4,5-tetrahy...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc12
Show InChI InChI=1S/C26H25Cl2N3O2/c1-30(2)23-8-5-15-31(24-7-4-3-6-21(23)24)26(33)17-9-12-19(13-10-17)29-25(32)20-14-11-18(27)16-22(20)28/h3-4,6-7,9-14,16,23H,5,8,15H2,1-2H3,(H,29,32)
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n/an/a 13n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35724
PNG
(benzazepine derivative, 33)
Show SMILES COc1cc(NC(=O)c2ccccc2C)ccc1C(=O)N1CCCC(O)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H25ClN2O4/c1-16-6-3-4-7-19(16)25(31)28-18-10-11-20(24(15-18)33-2)26(32)29-13-5-8-23(30)21-14-17(27)9-12-22(21)29/h3-4,6-7,9-12,14-15,23,30H,5,8,13H2,1-2H3,(H,28,31)
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n/an/a 13n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50052930
PNG
(2-Methyl-N-[4-(5-methyl-2,3,4,5-tetrahydro-benzo[b...)
Show SMILES CN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Show InChI InChI=1S/C25H25N3O2/c1-18-8-3-4-9-21(18)24(29)26-20-14-12-19(13-15-20)25(30)28-17-7-16-27(2)22-10-5-6-11-23(22)28/h3-6,8-15H,7,16-17H2,1-2H3,(H,26,29)
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n/an/a 14n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50052925
PNG
(CHEMBL331098 | N-[4-(5-Dimethylamino-2,3,4,5-tetra...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c2ccccc12
Show InChI InChI=1S/C27H29N3O2/c1-19-8-6-9-21(18-19)26(31)28-22-15-13-20(14-16-22)27(32)30-17-7-12-24(29(2)3)23-10-4-5-11-25(23)30/h4-6,8-11,13-16,18,24H,7,12,17H2,1-3H3,(H,28,31)
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n/an/a 14n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50242493
PNG
((2S,4S)-1-{N-[(2E)-1,1-Dimethyl-3-phenylprop-2-en-...)
Show SMILES CC(C)(NCC(=O)N1C[C@@H](F)C[C@H]1C#N)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C18H22FN3O/c1-18(2,9-8-14-6-4-3-5-7-14)21-12-17(23)22-13-15(19)10-16(22)11-20/h3-9,15-16,21H,10,12-13H2,1-2H3/b9-8+/t15-,16-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35718
PNG
(benzazepine derivative, 20)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2cc(Cl)ccc12
Show InChI InChI=1S/C25H23ClN2O3/c1-16-5-2-3-6-20(16)24(30)27-19-11-8-17(9-12-19)25(31)28-14-4-7-23(29)21-15-18(26)10-13-22(21)28/h2-3,5-6,8-13,15,23,29H,4,7,14H2,1H3,(H,27,30)
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n/an/a 17n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50052954
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)
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n/an/a 18n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35716
PNG
(benzazepine derivative, 18)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(NCC=C)c2cc(Cl)ccc12
Show InChI InChI=1S/C28H28ClN3O2/c1-3-16-30-25-9-6-17-32(26-15-12-21(29)18-24(25)26)28(34)20-10-13-22(14-11-20)31-27(33)23-8-5-4-7-19(23)2/h3-5,7-8,10-15,18,25,30H,1,6,9,16-17H2,2H3,(H,31,33)
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n/an/a 18n/an/an/an/a7.44



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600889708
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
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