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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'onogawa' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V2 receptor


(Homo sapiens (Human))
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



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
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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1.33n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.45n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
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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6.36n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
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



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V1a 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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12.3n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V1a 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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150n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)
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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325n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(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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524n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1A4


(Rattus norvegicus)
BDBM18957
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Tohoku University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin uptake in Xenopus laevis oocytes


Endocrinology 142: 2005-12 (2001)


Article DOI: 10.1210/endo.142.5.8115
BindingDB Entry DOI: 10.7270/Q2GF0XB3
More data for this
Ligand-Target Pair
Vasopressin V1b 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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>1.00E+4n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V1b 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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>1.00E+4n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 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 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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
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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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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 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 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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
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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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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35711
PNG
(benzazepine derivative, 14)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C27H28ClN3O2/c1-18-7-4-5-8-22(18)26(32)29-21-13-10-19(11-14-21)27(33)31-16-6-9-24(30(2)3)23-17-20(28)12-15-25(23)31/h4-5,7-8,10-15,17,24H,6,9,16H2,1-3H3,(H,29,32)
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n/an/a 25n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35722
PNG
(benzazepine derivative, 31)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1Cl)C(=O)N1CCCC(O)c2cc(Cl)ccc12
Show InChI InChI=1S/C25H22Cl2N2O3/c1-15-5-2-3-6-18(15)24(31)28-21-10-8-16(13-20(21)27)25(32)29-12-4-7-23(30)19-14-17(26)9-11-22(19)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 28n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35722
PNG
(benzazepine derivative, 31)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1Cl)C(=O)N1CCCC(O)c2cc(Cl)ccc12
Show InChI InChI=1S/C25H22Cl2N2O3/c1-15-5-2-3-6-18(15)24(31)28-21-10-8-16(13-20(21)27)25(32)29-12-4-7-23(30)19-14-17(26)9-11-22(19)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 31n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(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 34n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2B1


(Rattus norvegicus)
BDBM50101853
PNG
((11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Tohoku University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PGD2 uptake in Xenopus laevis oocytes


Biochem Biophys Res Commun 275: 831-8 (2000)


Article DOI: 10.1006/bbrc.2000.3377
BindingDB Entry DOI: 10.7270/Q2DN46J2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(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 39n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(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 45n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(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 53n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35712
PNG
(benzazepine derivative, 15)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C27H28ClN3O2/c1-18-7-4-5-8-22(18)26(32)29-21-13-10-19(11-14-21)27(33)31-16-6-9-24(30(2)3)23-15-12-20(28)17-25(23)31/h4-5,7-8,10-15,17,24H,6,9,16H2,1-3H3,(H,29,32)
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n/an/a 63n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(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 64n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35717
PNG
(benzazepine derivative, 19)
Show SMILES CN(CC=C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C29H30ClN3O2/c1-4-17-32(3)26-10-7-18-33(27-16-13-22(30)19-25(26)27)29(35)21-11-14-23(15-12-21)31-28(34)24-9-6-5-8-20(24)2/h4-6,8-9,11-16,19,26H,1,7,10,17-18H2,2-3H3,(H,31,34)
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n/an/a 97n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 4C1


(Homo sapiens)
BDBM46356
PNG
(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:45|
Show InChI InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin uptake in OATP4C1-expressing MDCK cells


Proc Natl Acad Sci U S A 101: 3569-74 (2004)


Article DOI: 10.1073/pnas.0304987101
BindingDB Entry DOI: 10.7270/Q2WQ06NX
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35713
PNG
(benzazepine derivative, 16)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(Cl)cccc12
Show InChI InChI=1S/C27H28ClN3O2/c1-18-8-4-5-9-21(18)26(32)29-20-15-13-19(14-16-20)27(33)31-17-7-12-24(30(2)3)22-10-6-11-23(28)25(22)31/h4-6,8-11,13-16,24H,7,12,17H2,1-3H3,(H,29,32)
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n/an/a 140n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35711
PNG
(benzazepine derivative, 14)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C27H28ClN3O2/c1-18-7-4-5-8-22(18)26(32)29-21-13-10-19(11-14-21)27(33)31-16-6-9-24(30(2)3)23-17-20(28)12-15-25(23)31/h4-5,7-8,10-15,17,24H,6,9,16H2,1-3H3,(H,29,32)
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n/an/a 190n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35710
PNG
(benzazepine derivative, 17)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2cccc(Cl)c12
Show InChI InChI=1S/C27H28ClN3O2/c1-18-8-4-5-9-21(18)26(32)29-20-15-13-19(14-16-20)27(33)31-17-7-12-23(30(2)3)25-22(28)10-6-11-24(25)31/h4-6,8-11,13-16,23H,7,12,17H2,1-3H3,(H,29,32)
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n/an/a 190n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 2B1


(Rattus norvegicus)
BDBM50035622
PNG
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r|
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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n/an/a 287n/an/an/an/an/an/a



Tohoku University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PGD2 uptake in Xenopus laevis oocytes


Biochem Biophys Res Commun 275: 831-8 (2000)


Article DOI: 10.1006/bbrc.2000.3377
BindingDB Entry DOI: 10.7270/Q2DN46J2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(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 290n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35717
PNG
(benzazepine derivative, 19)
Show SMILES CN(CC=C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C29H30ClN3O2/c1-4-17-32(3)26-10-7-18-33(27-16-13-22(30)19-25(26)27)29(35)21-11-14-23(15-12-21)31-28(34)24-9-6-5-8-20(24)2/h4-6,8-9,11-16,19,26H,1,7,10,17-18H2,2-3H3,(H,31,34)
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n/an/a 350n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 4C1


(Homo sapiens)
BDBM225707
PNG
(CS337 | Digoxigenin)
Show SMILES C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1 |t:26|
Show InChI InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Digoxin uptake in OATP4C1-expressing MDCK cells


Proc Natl Acad Sci U S A 101: 3569-74 (2004)


Article DOI: 10.1073/pnas.0304987101
BindingDB Entry DOI: 10.7270/Q2WQ06NX
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35713
PNG
(benzazepine derivative, 16)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(Cl)cccc12
Show InChI InChI=1S/C27H28ClN3O2/c1-18-8-4-5-9-21(18)26(32)29-20-15-13-19(14-16-20)27(33)31-17-7-12-24(30(2)3)22-10-6-11-23(28)25(22)31/h4-6,8-11,13-16,24H,7,12,17H2,1-3H3,(H,29,32)
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n/an/a 540n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a 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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n/an/a 580n/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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35712
PNG
(benzazepine derivative, 15)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C27H28ClN3O2/c1-18-7-4-5-8-22(18)26(32)29-21-13-10-19(11-14-21)27(33)31-16-6-9-24(30(2)3)23-15-12-20(28)17-25(23)31/h4-5,7-8,10-15,17,24H,6,9,16H2,1-3H3,(H,29,32)
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n/an/a 1.20E+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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a 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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n/an/a 1.40E+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: 10.1016/s0968-0896(99)00101-7
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
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