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Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'hirano' 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



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))
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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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PubMed
1.60n/an/an/an/an/an/an/an/a



Tokyo Medical and Dental University (TMDU)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 24: 4318-4323 (2016)


Article DOI: 10.1016/j.bmc.2016.07.024
BindingDB Entry DOI: 10.7270/Q2959KGV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50097224
PNG
(1-Methyl-4-thioxanthen-9-ylidene-piperidine | 1-me...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccccc2-[#16]-c2ccccc-12
Show InChI InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Tokyo Medical and Dental University (TMDU)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 24: 4318-4323 (2016)


Article DOI: 10.1016/j.bmc.2016.07.024
BindingDB Entry DOI: 10.7270/Q2959KGV
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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50097222
PNG
(4-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidene...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C21H23N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9H,10-15H2,1H3
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9n/an/an/an/an/an/an/an/a



Tokyo Medical and Dental University (TMDU)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 24: 4318-4323 (2016)


Article DOI: 10.1016/j.bmc.2016.07.024
BindingDB Entry DOI: 10.7270/Q2959KGV
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
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


(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
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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50097215
PNG
(4-Fluoren-9-ylidene-1-methyl-piperidine | CHEMBL34...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C19H19N/c1-20-12-10-14(11-13-20)19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9H,10-13H2,1H3
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199n/an/an/an/an/an/an/an/a



Tokyo Medical and Dental University (TMDU)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 24: 4318-4323 (2016)


Article DOI: 10.1016/j.bmc.2016.07.024
BindingDB Entry DOI: 10.7270/Q2959KGV
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
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 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
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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1.50E+4n/an/an/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Ac-KRSK-MCA peptide/SAM as substrate preincubated fo...


J Med Chem 59: 3650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01732
BindingDB Entry DOI: 10.7270/Q2X068Z4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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
Binding affinity of the compound against human Vasopressin V2 receptor expressed in HeLa cells was determined


J Med Chem 45: 3805-8 (2002)


BindingDB Entry DOI: 10.7270/Q2H41QRK
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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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))
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))
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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n/an/a 16n/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))
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50198670
PNG
(CHEMBL3960590)
Show SMILES COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1C
Show InChI InChI=1S/C17H14N2O3/c1-10-6-17(20)22-16-8-15(21-3)13(7-12(10)16)14-5-4-11(9-18)19(14)2/h4-8H,1-3H3
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n/an/a 24n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198661
PNG
(CHEMBL3955849)
Show SMILES O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1CC1CCCCC1
Show InChI InChI=1S/C21H20N2O2/c22-13-18-8-9-19(23(18)14-15-4-2-1-3-5-15)16-6-10-20-17(12-16)7-11-21(24)25-20/h6-12,15H,1-5,14H2
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n/an/a 31n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50198660
PNG
(CHEMBL3928231)
Show SMILES CCCCCCn1c(ccc1-c1ccc2oc(=O)ccc2c1)C#N
Show InChI InChI=1S/C20H20N2O2/c1-2-3-4-5-12-22-17(14-21)8-9-18(22)15-6-10-19-16(13-15)7-11-20(23)24-19/h6-11,13H,2-5,12H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
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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n/an/a 34n/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))
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50198677
PNG
(CHEMBL3929427)
Show SMILES CCn1c(ccc1-c1cc2c(C)cc(=O)oc2cc1OC)C#N
Show InChI InChI=1S/C18H16N2O3/c1-4-20-12(10-19)5-6-15(20)14-8-13-11(2)7-18(21)23-17(13)9-16(14)22-3/h5-9H,4H2,1-3H3
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n/an/a 38n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
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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n/an/a 51n/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
Progesterone receptor


(Homo sapiens (Human))
BDBM50198662
PNG
(CHEMBL3966957)
Show SMILES O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccccc1
Show InChI InChI=1S/C21H14N2O2/c22-13-18-8-9-19(23(18)14-15-4-2-1-3-5-15)16-6-10-20-17(12-16)7-11-21(24)25-20/h1-12H,14H2
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n/an/a 56n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50355243
PNG
(CHEMBL1835836)
Show SMILES Cn1c(ccc1-c1ccc2oc(=O)ccc2c1)C#N
Show InChI InChI=1S/C15H10N2O2/c1-17-12(9-16)4-5-13(17)10-2-6-14-11(8-10)3-7-15(18)19-14/h2-8H,1H3
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n/an/a 65n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at human progesterone receptor in T47D cells after 24 hrs by alkaline phosphatase assay


J Med Chem 54: 7055-65 (2011)


Article DOI: 10.1021/jm2005404
BindingDB Entry DOI: 10.7270/Q27D2VJ6
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50198682
PNG
(CHEMBL3918835)
Show SMILES CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc([nH]1)C#N
Show InChI InChI=1S/C18H17N3O2/c1-3-21(4-2)16-10-17-12(5-8-18(22)23-17)9-14(16)15-7-6-13(11-19)20-15/h5-10,20H,3-4H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Ochanomizu University

Curated by ChEMBL


Assay Description
Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline...


Bioorg Med Chem 24: 5602-5610 (2016)


Article DOI: 10.1016/j.bmc.2016.09.020
BindingDB Entry DOI: 10.7270/Q2R49SRM
More data for this
Ligand-Target Pair
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