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Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'itai' and Initial = 'a'   
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
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50064089
PNG
(4-hydroxymethyl-7,10-diisopropyl-8,10,13-trimethyl...)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(C[C@@H](CO)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C28H41N3O2/c1-9-27(6)10-11-28(7,17(4)5)20-13-21-22-18(14-29-24(22)23(20)27)12-19(15-32)30-26(33)25(16(2)3)31(21)8/h9,13-14,16-17,19,25,29,32H,1,10-12,15H2,2-8H3,(H,30,33)/t19-,25-,27-,28+/m0/s1
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Article
PubMed
0.320n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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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0.430n/an/an/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50081077
PNG
(CHEMBL216658 | Dicarba-Closo-Dodecaborane analogue)
Show SMILES CCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]585[B]%118%11[B]%12%12%14[B]9%139[B]16%10[B]2%129[C]38%14(c1ccc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c2c1)[B]475%11
Show InChI InChI=1S/C21H30B10N2O2/c1-5-6-9-20-21(15-8-7-14-10-16(12-34)32-19(35)18(13(2)3)33(4)17(14)11-15)22(20)24(20)25(20)23(20,21)27(21)26(21,22)28(22,24)30(24,25)29(23,25,27)31(26,27,28)30/h7-8,11,13,16,18,34H,5-6,9-10,12H2,1-4H3,(H,32,35)/t16-,18-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C delta


Bioorg Med Chem Lett 9: 2561-4 (1999)


BindingDB Entry DOI: 10.7270/Q2G44PHV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50081078
PNG
(CHEMBL374446 | Dicarba-Closo-Dodecaborane analogue)
Show SMILES CCCCCCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]585[B]%118%11[B]%12%12%14[B]9%139[B]16%10[B]2%129[C]38%14(c1ccc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c2c1)[B]475%11
Show InChI InChI=1S/C25H38B10N2O2/c1-5-6-7-8-9-10-13-24-25(19-12-11-18-14-20(16-38)36-23(39)22(17(2)3)37(4)21(18)15-19)26(24)28(24)29(24)27(24,25)31(25)30(25,26)32(26,28)34(28,29)33(27,29,31)35(30,31,32)34/h11-12,15,17,20,22,38H,5-10,13-14,16H2,1-4H3,(H,36,39)/t20-,22-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C delta


Bioorg Med Chem Lett 9: 2561-4 (1999)


BindingDB Entry DOI: 10.7270/Q2G44PHV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50064091
PNG
((2S,5S)-9-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-21-17-22(18-28)26-25(29)24(19(2)3)27(4)23(21)16-20/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C delta


Bioorg Med Chem Lett 9: 2561-4 (1999)


BindingDB Entry DOI: 10.7270/Q2G44PHV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50081076
PNG
(CHEMBL414278 | Dicarba-Closo-Dodecaborane analogue)
Show SMILES CC(C)[C@@H]1N(C)c2cc(ccc2C[C@@H](CO)NC1=O)[C]1234[B]567[B]89%10[B]%11%12%13[B]585[B]%118%11[B]%12%12%14[B]9%139[B]16%10[B]2%129[C]38%14[B]475%11
Show InChI InChI=1S/C17H21B10N2O2/c1-9(2)14-15(31)28-12(8-30)6-10-4-5-11(7-13(10)29(14)3)17-16-18(17)20(16)21(16)19(16,17)23(17)22(17,18)24(18,20)26(20,21)25(19,21,23)27(22,23,24)26/h4-5,7,9,12,14,30H,6,8H2,1-3H3,(H,28,31)/t12-,14-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C delta


Bioorg Med Chem Lett 9: 2561-4 (1999)


BindingDB Entry DOI: 10.7270/Q2G44PHV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50064090
PNG
((S)-2-Decyl-5-hydroxymethyl-1-methyl-1,4,5,6-tetra...)
Show SMILES CCCCCCCCCCC1N(C)c2ccccc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C22H36N2O2/c1-3-4-5-6-7-8-9-10-15-21-22(26)23-19(17-25)16-18-13-11-12-14-20(18)24(21)2/h11-14,19,21,25H,3-10,15-17H2,1-2H3,(H,23,26)/t19-,21?/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50064091
PNG
((2S,5S)-9-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-21-17-22(18-28)26-25(29)24(19(2)3)27(4)23(21)16-20/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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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9.42n/an/an/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073876
PNG
((1S,4S,5aS,9aS)-7,7-Dibutyl-4-hydroxymethyl-5a-met...)
Show SMILES CCCCCCCC[C@H]1[C@@H]2CCC(CCCC)(CCCC)C[C@@]2(C)C[C@@H](CO)NC1=O
Show InChI InChI=1S/C28H53NO2/c1-5-8-11-12-13-14-15-24-25-16-19-28(17-9-6-2,18-10-7-3)22-27(25,4)20-23(21-30)29-26(24)31/h23-25,30H,5-22H2,1-4H3,(H,29,31)/t23-,24-,25-,27+/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50064092
PNG
(5'-hydroxymethyl-2'-isopropyl-1',4,4-trimethyl-(2'...)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(CCCC33CCC(C)(C)CC3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C26H40N2O2/c1-17(2)23-24(30)27-20(16-29)14-19-13-18-7-6-8-26(11-9-25(3,4)10-12-26)21(18)15-22(19)28(23)5/h13,15,17,20,23,29H,6-12,14,16H2,1-5H3,(H,27,30)/t20-,23-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073875
PNG
((1S,4S,5aS,9aS)-1,7,7-Tributyl-4-hydroxymethyl-5a-...)
Show SMILES CCCC[C@H]1[C@@H]2CCC(CCCC)(CCCC)C[C@@]2(C)C[C@@H](CO)NC1=O
Show InChI InChI=1S/C24H45NO2/c1-5-8-11-20-21-12-15-24(13-9-6-2,14-10-7-3)18-23(21,4)16-19(17-26)25-22(20)27/h19-21,26H,5-18H2,1-4H3,(H,25,27)/t19-,20-,21-,23+/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50064094
PNG
(5'-hydroxymethyl-2'-isopropyl-1'-methyl-(2'S,5'S)-...)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(CCCC33CCCCC3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C24H36N2O2/c1-16(2)22-23(28)25-19(15-27)13-18-12-17-8-7-11-24(9-5-4-6-10-24)20(17)14-21(18)26(22)3/h12,14,16,19,22,27H,4-11,13,15H2,1-3H3,(H,25,28)/t19-,22-/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073873
PNG
((1S,4S,5aS,9aS)-7,7-Dibutyl-4-hydroxymethyl-1,5a-d...)
Show SMILES CCCCC1(CCCC)CC[C@H]2[C@H](C)C(=O)N[C@H](CO)C[C@]2(C)C1
Show InChI InChI=1S/C21H39NO2/c1-5-7-10-21(11-8-6-2)12-9-18-16(3)19(24)22-17(14-23)13-20(18,4)15-21/h16-18,23H,5-15H2,1-4H3,(H,22,24)/t16-,17-,18-,20+/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)
BDBM50029644
PNG
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
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32n/an/an/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Vasopressin V1a receptor in rat liver


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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32n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073874
PNG
((4S,5aS,9aS)-7,7-Dibutyl-4-hydroxymethyl-5a-methyl...)
Show SMILES CCCCC1(CCCC)CC[C@H]2CC(=O)N[C@H](CO)C[C@]2(C)C1
Show InChI InChI=1S/C20H37NO2/c1-4-6-9-20(10-7-5-2)11-8-16-12-18(23)21-17(14-22)13-19(16,3)15-20/h16-17,22H,4-15H2,1-3H3,(H,21,23)/t16-,17-,19+/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50064093
PNG
((7S,10S)-10-Hydroxymethyl-7-isopropyl-4,4,6-trimet...)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(CCCC3(C)C)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C21H32N2O2/c1-13(2)19-20(25)22-16(12-24)10-15-9-14-7-6-8-21(3,4)17(14)11-18(15)23(19)5/h9,11,13,16,19,24H,6-8,10,12H2,1-5H3,(H,22,25)/t16-,19-/m0/s1
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65n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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80n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073874
PNG
((4S,5aS,9aS)-7,7-Dibutyl-4-hydroxymethyl-5a-methyl...)
Show SMILES CCCCC1(CCCC)CC[C@H]2CC(=O)N[C@H](CO)C[C@]2(C)C1
Show InChI InChI=1S/C20H37NO2/c1-4-6-9-20(10-7-5-2)11-8-16-12-18(23)21-17(14-22)13-19(16,3)15-20/h16-17,22H,4-15H2,1-3H3,(H,21,23)/t16-,17-,19+/m0/s1
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80n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073878
PNG
((4R,5aS,9aS)-7,7-Dibutyl-4-hydroxymethyl-5a-methyl...)
Show SMILES CCCCC1(CCCC)CC[C@H]2CC(=O)N[C@@H](CO)C[C@]2(C)C1
Show InChI InChI=1S/C20H37NO2/c1-4-6-9-20(10-7-5-2)11-8-16-12-18(23)21-17(14-22)13-19(16,3)15-20/h16-17,22H,4-15H2,1-3H3,(H,21,23)/t16-,17+,19+/m0/s1
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190n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073872
PNG
((4S,5aS,5bS,7aS,10aS,10bS,12aS)-4-Hydroxymethyl-5a...)
Show SMILES C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)N[C@H](CO)C[C@]3(C)[C@H]1CC2
Show InChI InChI=1S/C20H33NO2/c1-19-8-3-4-16(19)15-6-5-13-10-18(23)21-14(12-22)11-20(13,2)17(15)7-9-19/h13-17,22H,3-12H2,1-2H3,(H,21,23)/t13-,14-,15-,16-,17-,19-,20-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073870
PNG
((4R,5aS,5bS,7aR,8R,10aS,10bR,12aS)-8-(1,5-Dimethyl...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)N[C@@H](CO)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H49NO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-15-26(31)29-21(17-30)16-28(20,5)25(22)13-14-27(23,24)4/h18-25,30H,6-17H2,1-5H3,(H,29,31)/t19?,20-,21+,22-,23+,24-,25-,27+,28-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073877
PNG
((4S,5aS,5bS,7aR,8R,10aS,10bR,12aS)-8-(1,5-Dimethyl...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)N[C@H](CO)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H49NO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-15-26(31)29-21(17-30)16-28(20,5)25(22)13-14-27(23,24)4/h18-25,30H,6-17H2,1-5H3,(H,29,31)/t19?,20-,21-,22-,23+,24-,25-,27+,28-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073871
PNG
((4R,5aS,5bS,7aS,10aS,10bS,12aS)-4-Hydroxymethyl-5a...)
Show SMILES C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)N[C@@H](CO)C[C@]3(C)[C@H]1CC2
Show InChI InChI=1S/C20H33NO2/c1-19-8-3-4-16(19)15-6-5-13-10-18(23)21-14(12-22)11-20(13,2)17(15)7-9-19/h13-17,22H,3-12H2,1-2H3,(H,21,23)/t13-,14+,15-,16-,17-,19-,20-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057513
PNG
((2S,5S)-5-Hydroxymethyl-2-isopropyl-1-methyl-1,4,5...)
Show SMILES CC(C)[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C15H22N2O2/c1-10(2)14-15(19)16-12(9-18)8-11-6-4-5-7-13(11)17(14)3/h4-7,10,12,14,18H,8-9H2,1-3H3,(H,16,19)/t12-,14-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50064088
PNG
((7S,10S)-10-Hydroxymethyl-7-isopropyl-1,1,6-trimet...)
Show SMILES CC(C)[C@@H]1N(C)c2cc3CCCC(C)(C)c3cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C21H32N2O2/c1-13(2)19-20(25)22-16(12-24)9-15-10-17-14(11-18(15)23(19)5)7-6-8-21(17,3)4/h10-11,13,16,19,24H,6-9,12H2,1-5H3,(H,22,25)/t16-,19-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50064095
PNG
((7S,10S)-10-Hydroxymethyl-7-isopropyl-1,1,4,4,6-pe...)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(cc2C[C@@H](CO)NC1=O)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C23H36N2O2/c1-14(2)20-21(27)24-16(13-26)10-15-11-17-18(12-19(15)25(20)7)23(5,6)9-8-22(17,3)4/h11-12,14,16,20,26H,8-10,13H2,1-7H3,(H,24,27)/t16-,20-/m0/s1
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5.10E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50029644
PNG
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
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1.40E+4n/an/an/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Vasopressin V1a receptor in human liver


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094076
PNG
(CHEMBL434654 | N-[4-(7-Chloro-2,3,4,5-tetrahydro-b...)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C27H27ClN2O3/c1-18-7-3-4-9-25(18)33-17-26(31)29-22-11-12-23(19(2)15-22)27(32)30-14-6-5-8-20-16-21(28)10-13-24(20)30/h3-4,7,9-13,15-16H,5-6,8,14,17H2,1-2H3,(H,29,31)
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n/an/a 0.950n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094079
PNG
((4-Amino-2-methyl-phenyl)-(7-chloro-2,3,4,5-tetrah...)
Show SMILES Cc1cc(N)ccc1C(=O)N1CCCCc2cc(Cl)ccc12
Show InChI InChI=1S/C18H19ClN2O/c1-12-10-15(20)6-7-16(12)18(22)21-9-3-2-4-13-11-14(19)5-8-17(13)21/h5-8,10-11H,2-4,9,20H2,1H3
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n/an/a 4.10n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094068
PNG
((2-Chloro-4-ethylamino-phenyl)-(7-chloro-2,3,4,5-t...)
Show SMILES CCNc1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(Cl)c1
Show InChI InChI=1S/C19H20Cl2N2O/c1-2-22-15-7-8-16(17(21)12-15)19(24)23-10-4-3-5-13-11-14(20)6-9-18(13)23/h6-9,11-12,22H,2-5,10H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094086
PNG
((4-Allylamino-2-chloro-phenyl)-(2,3,4,5-tetrahydro...)
Show SMILES Clc1cc(NCC=C)ccc1C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C20H21ClN2O/c1-2-12-22-16-10-11-17(18(21)14-16)20(24)23-13-6-5-8-15-7-3-4-9-19(15)23/h2-4,7,9-11,14,22H,1,5-6,8,12-13H2
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n/an/a 5.90n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094082
PNG
((2-Chloro-4-pyrrol-1-yl-phenyl)-(2,3,4,5-tetrahydr...)
Show SMILES Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)-n1cccc1
Show InChI InChI=1S/C21H19ClN2O/c22-19-15-17(23-12-5-6-13-23)10-11-18(19)21(25)24-14-4-3-8-16-7-1-2-9-20(16)24/h1-2,5-7,9-13,15H,3-4,8,14H2
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n/an/a 7.5n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094066
PNG
((2-Chloro-4-pyrazol-1-yl-phenyl)-(2,3,4,5-tetrahyd...)
Show SMILES Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)-n1cccn1
Show InChI InChI=1S/C20H18ClN3O/c21-18-14-16(24-13-5-11-22-24)9-10-17(18)20(25)23-12-4-3-7-15-6-1-2-8-19(15)23/h1-2,5-6,8-11,13-14H,3-4,7,12H2
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n/an/a 8.80n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094075
PNG
((2-Chloro-4-pyrrolidin-1-yl-phenyl)-(2,3,4,5-tetra...)
Show SMILES Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)N1CCCC1
Show InChI InChI=1S/C21H23ClN2O/c22-19-15-17(23-12-5-6-13-23)10-11-18(19)21(25)24-14-4-3-8-16-7-1-2-9-20(16)24/h1-2,7,9-11,15H,3-6,8,12-14H2
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n/an/a 9n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094074
PNG
((2-Chloro-4-dimethylamino-phenyl)-(7-chloro-2,3,4,...)
Show SMILES CN(C)c1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(Cl)c1
Show InChI InChI=1S/C19H20Cl2N2O/c1-22(2)15-7-8-16(17(21)12-15)19(24)23-10-4-3-5-13-11-14(20)6-9-18(13)23/h6-9,11-12H,3-5,10H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094070
PNG
(CHEMBL136109 | [2-Chloro-4-(3-methyl-pyrazol-1-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H20ClN3O/c1-15-11-13-25(23-15)17-9-10-18(19(22)14-17)21(26)24-12-5-4-7-16-6-2-3-8-20(16)24/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3
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Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094072
PNG
((2-Chloro-4-pyrrolidin-1-yl-phenyl)-(7-chloro-2,3,...)
Show SMILES Clc1ccc2N(CCCCc2c1)C(=O)c1ccc(cc1Cl)N1CCCC1
Show InChI InChI=1S/C21H22Cl2N2O/c22-16-6-9-20-15(13-16)5-1-2-12-25(20)21(26)18-8-7-17(14-19(18)23)24-10-3-4-11-24/h6-9,13-14H,1-5,10-12H2
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Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094089
PNG
((2-Chloro-4-propylamino-phenyl)-(2,3,4,5-tetrahydr...)
Show SMILES CCCNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C20H23ClN2O/c1-2-12-22-16-10-11-17(18(21)14-16)20(24)23-13-6-5-8-15-7-3-4-9-19(15)23/h3-4,7,9-11,14,22H,2,5-6,8,12-13H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094067
PNG
((2-Chloro-4-dimethylamino-phenyl)-(2,3,4,5-tetrahy...)
Show SMILES CN(C)c1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C19H21ClN2O/c1-21(2)15-10-11-16(17(20)13-15)19(23)22-12-6-5-8-14-7-3-4-9-18(14)22/h3-4,7,9-11,13H,5-6,8,12H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094077
PNG
((2-Chloro-4-diethylamino-phenyl)-(2,3,4,5-tetrahyd...)
Show SMILES CCN(CC)c1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H25ClN2O/c1-3-23(4-2)17-12-13-18(19(22)15-17)21(25)24-14-8-7-10-16-9-5-6-11-20(16)24/h5-6,9,11-13,15H,3-4,7-8,10,14H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094078
PNG
((4-Butylamino-2-chloro-phenyl)-(2,3,4,5-tetrahydro...)
Show SMILES CCCCNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H25ClN2O/c1-2-3-13-23-17-11-12-18(19(22)15-17)21(25)24-14-7-6-9-16-8-4-5-10-20(16)24/h4-5,8,10-12,15,23H,2-3,6-7,9,13-14H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094087
PNG
((2-Chloro-4-pentylamino-phenyl)-(2,3,4,5-tetrahydr...)
Show SMILES CCCCCNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H27ClN2O/c1-2-3-7-14-24-18-12-13-19(20(23)16-18)22(26)25-15-8-6-10-17-9-4-5-11-21(17)25/h4-5,9,11-13,16,24H,2-3,6-8,10,14-15H2,1H3
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n/an/a 31n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094069
PNG
((2-Chloro-4-ethylamino-phenyl)-(2,3,4,5-tetrahydro...)
Show SMILES CCNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C19H21ClN2O/c1-2-21-15-10-11-16(17(20)13-15)19(23)22-12-6-5-8-14-7-3-4-9-18(14)22/h3-4,7,9-11,13,21H,2,5-6,8,12H2,1H3
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Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094083
PNG
((2-Chloro-4-methylamino-phenyl)-(2,3,4,5-tetrahydr...)
Show SMILES CNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C18H19ClN2O/c1-20-14-9-10-15(16(19)12-14)18(22)21-11-5-4-7-13-6-2-3-8-17(13)21/h2-3,6,8-10,12,20H,4-5,7,11H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50094076
PNG
(CHEMBL434654 | N-[4-(7-Chloro-2,3,4,5-tetrahydro-b...)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C27H27ClN2O3/c1-18-7-3-4-9-25(18)33-17-26(31)29-22-11-12-23(19(2)15-22)27(32)30-14-6-5-8-20-16-21(28)10-13-24(20)30/h3-4,7,9-13,15-16H,5-6,8,14,17H2,1-2H3,(H,29,31)
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n/an/a 38n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards rat Vasopressin V2 receptor after peroral administration of the compound


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094088
PNG
(CHEMBL136790 | [2-Chloro-4-(3-methyl-pyrrolidin-1-...)
Show SMILES CC1CCN(C1)c1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H25ClN2O/c1-16-11-13-24(15-16)18-9-10-19(20(23)14-18)22(26)25-12-5-4-7-17-6-2-3-8-21(17)25/h2-3,6,8-10,14,16H,4-5,7,11-13,15H2,1H3
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Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50094073
PNG
((2-Chloro-4-piperidin-1-yl-phenyl)-(2,3,4,5-tetrah...)
Show SMILES Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)N1CCCCC1
Show InChI InChI=1S/C22H25ClN2O/c23-20-16-18(24-13-5-1-6-14-24)11-12-19(20)22(26)25-15-7-4-9-17-8-2-3-10-21(17)25/h2-3,8,10-12,16H,1,4-7,9,13-15H2
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Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50094075
PNG
((2-Chloro-4-pyrrolidin-1-yl-phenyl)-(2,3,4,5-tetra...)
Show SMILES Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)N1CCCC1
Show InChI InChI=1S/C21H23ClN2O/c22-19-15-17(23-12-5-6-13-23)10-11-18(19)21(25)24-14-4-3-8-16-7-1-2-9-20(16)24/h1-2,7,9-11,15H,3-6,8,12-14H2
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Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards rat Vasopressin V2 receptor


J Med Chem 43: 4388-97 (2000)


BindingDB Entry DOI: 10.7270/Q2PG1R04
More data for this
Ligand-Target Pair
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