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Compile Data Set for Download or QSAR

Found 219 hits with Last Name = 'priestley' 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 V1b receptor


(Homo sapiens (Human))
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301397
PNG
(CHEMBL571390 | [1-(4-Methyl-benzyl)-piperidin-4-yl...)
Show SMILES Cc1ccc(CN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO/c1-21-12-14-22(15-13-21)20-27-18-16-25(17-19-27)26(28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,28H,16-20H2,1H3
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299342
PNG
(CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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19n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301394
PNG
(CHEMBL568892 | methyl 4-(4-(4-(hydroxydiphenylmeth...)
Show SMILES COC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H35NO3/c1-34-29(32)25-17-15-24(16-18-25)10-8-9-21-31-22-19-28(20-23-31)30(33,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-18,28,33H,8-10,19-23H2,1H3
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20n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299342
PNG
(CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3
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21n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299349
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
Show InChI InChI=1S/C29H37N3O6S3/c1-37-25-11-12-29(28(20-25)38-2)41(35,36)32-24(10-9-22-6-3-4-8-27(22)32)15-19-40(33,34)31-16-13-23(14-17-31)30-21-26-7-5-18-39-26/h3-8,11-12,18,20,23-24,30H,9-10,13-17,19,21H2,1-2H3
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23n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299358
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCCC(C)C)CCc2ccccc12
Show InChI InChI=1S/C29H43N3O6S2/c1-22(2)13-17-30-24-14-18-31(19-15-24)39(33,34)20-16-25-10-9-23-7-5-6-8-27(23)32(25)40(35,36)29-12-11-26(37-3)21-28(29)38-4/h5-8,11-12,21-22,24-25,30H,9-10,13-20H2,1-4H3
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27n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22874
PNG
(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
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27n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50299350
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccsc2)CCc2ccccc12
Show InChI InChI=1S/C29H37N3O6S3/c1-37-26-9-10-29(28(19-26)38-2)41(35,36)32-25(8-7-23-5-3-4-6-27(23)32)14-18-40(33,34)31-15-11-24(12-16-31)30-20-22-13-17-39-21-22/h3-6,9-10,13,17,19,21,24-25,30H,7-8,11-12,14-16,18,20H2,1-2H3
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33n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299358
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCCC(C)C)CCc2ccccc12
Show InChI InChI=1S/C29H43N3O6S2/c1-22(2)13-17-30-24-14-18-31(19-15-24)39(33,34)20-16-25-10-9-23-7-5-6-8-27(23)32(25)40(35,36)29-12-11-26(37-3)21-28(29)38-4/h5-8,11-12,21-22,24-25,30H,9-10,13-20H2,1-4H3
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35n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301391
PNG
(1-[4-(4-methylphenyl)butyl]-alpha,alpha-diphenyl-4...)
Show SMILES Cc1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C29H35NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-18,28,31H,8-10,19-23H2,1H3
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39n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50017376
PNG
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
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40n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299342
PNG
(CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299341
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCOCC2)CCc2ccccc12
Show InChI InChI=1S/C30H43N3O7S2/c1-38-27-9-10-30(29(21-27)39-2)42(36,37)33-26(8-7-24-5-3-4-6-28(24)33)15-20-41(34,35)32-16-11-25(12-17-32)31-22-23-13-18-40-19-14-23/h3-6,9-10,21,23,25-26,31H,7-8,11-20,22H2,1-2H3
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56n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301393
PNG
(1-[4-(4-methylcyclohexyl)butyl]alpha,alpha-dipheny...)
Show SMILES CC1CCC(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)CC1 |(10.08,-37.25,;8.75,-36.48,;7.41,-37.24,;6.08,-36.46,;6.09,-34.92,;4.76,-34.15,;3.42,-34.91,;2.09,-34.13,;.76,-34.9,;-.57,-34.12,;-1.91,-34.88,;-3.23,-34.11,;-3.23,-32.57,;-1.9,-31.8,;-.57,-32.58,;-4.56,-31.8,;-5.9,-31.03,;-4.56,-30.26,;-3.22,-29.5,;-3.21,-27.96,;-4.55,-27.19,;-5.89,-27.96,;-5.88,-29.5,;-5.89,-32.57,;-7.22,-31.79,;-8.55,-32.56,;-8.56,-34.1,;-7.21,-34.87,;-5.88,-34.1,;7.42,-34.16,;8.75,-34.93,)|
Show InChI InChI=1S/C29H41NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-14,24-25,28,31H,8-10,15-23H2,1H3
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61n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299359
PNG
(CHEMBL575797 | N-(cyclopropylmethyl)-1-(2-(1-(2,4-...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CC2)CCc2ccccc12
Show InChI InChI=1S/C28H39N3O6S2/c1-36-25-11-12-28(27(19-25)37-2)39(34,35)31-24(10-9-22-5-3-4-6-26(22)31)15-18-38(32,33)30-16-13-23(14-17-30)29-20-21-7-8-21/h3-6,11-12,19,21,23-24,29H,7-10,13-18,20H2,1-2H3
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62n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301398
PNG
(CHEMBL571391 | Diphenyl-[1-(2-p-tolyl-ethyl)-piper...)
Show SMILES Cc1ccc(CCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO/c1-22-12-14-23(15-13-22)16-19-28-20-17-26(18-21-28)27(29,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,29H,16-21H2,1H3
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64n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299349
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
Show InChI InChI=1S/C29H37N3O6S3/c1-37-25-11-12-29(28(20-25)38-2)41(35,36)32-24(10-9-22-6-3-4-8-27(22)32)15-19-40(33,34)31-16-13-23(14-17-31)30-21-26-7-5-18-39-26/h3-8,11-12,18,20,23-24,30H,9-10,13-17,19,21H2,1-2H3
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66n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299342
PNG
(CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3
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70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299359
PNG
(CHEMBL575797 | N-(cyclopropylmethyl)-1-(2-(1-(2,4-...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CC2)CCc2ccccc12
Show InChI InChI=1S/C28H39N3O6S2/c1-36-25-11-12-28(27(19-25)37-2)39(34,35)31-24(10-9-22-5-3-4-6-26(22)31)15-18-38(32,33)30-16-13-23(14-17-30)29-20-21-7-8-21/h3-6,11-12,19,21,23-24,29H,7-10,13-18,20H2,1-2H3
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78n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299351
PNG
(CHEMBL583083 | N-benzyl-1-(2-(1-(2,4-dimethoxyphen...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C31H39N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h3-11,14-15,22,26-27,32H,12-13,16-21,23H2,1-2H3
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83n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299356
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCCc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C32H41N3O6S2/c1-40-29-14-15-32(31(24-29)41-2)43(38,39)35-28(13-12-26-10-6-7-11-30(26)35)19-23-42(36,37)34-21-17-27(18-22-34)33-20-16-25-8-4-3-5-9-25/h3-11,14-15,24,27-28,33H,12-13,16-23H2,1-2H3
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91n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299350
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccsc2)CCc2ccccc12
Show InChI InChI=1S/C29H37N3O6S3/c1-37-26-9-10-29(28(19-26)38-2)41(35,36)32-25(8-7-23-5-3-4-6-27(23)32)14-18-40(33,34)31-15-11-24(12-16-31)30-20-22-13-17-39-21-22/h3-6,9-10,13,17,19,21,24-25,30H,7-8,11-12,14-16,18,20H2,1-2H3
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96n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299351
PNG
(CHEMBL583083 | N-benzyl-1-(2-(1-(2,4-dimethoxyphen...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C31H39N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h3-11,14-15,22,26-27,32H,12-13,16-21,23H2,1-2H3
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104n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299334
PNG
((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquin...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(COC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
Show InChI InChI=1S/C27H30ClN3O4S2/c28-21-8-11-25(12-9-21)37(33,34)31-23(10-7-20-4-1-2-6-26(20)31)19-35-27(32)30-15-13-22(14-16-30)29-18-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2
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114n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301396
PNG
(CHEMBL572034 | Phenyl-[1-(4-p-tolyl-butyl)-piperid...)
Show SMILES Cc1ccc(CCCCN2CCC(CC2)C(O)c2ccccc2)cc1
Show InChI InChI=1S/C23H31NO/c1-19-10-12-20(13-11-19)7-5-6-16-24-17-14-22(15-18-24)23(25)21-8-3-2-4-9-21/h2-4,8-13,22-23,25H,5-7,14-18H2,1H3
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121n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299356
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCCc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C32H41N3O6S2/c1-40-29-14-15-32(31(24-29)41-2)43(38,39)35-28(13-12-26-10-6-7-11-30(26)35)19-23-42(36,37)34-21-17-27(18-22-34)33-20-16-25-8-4-3-5-9-25/h3-11,14-15,24,27-28,33H,12-13,16-23H2,1-2H3
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122n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299341
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCOCC2)CCc2ccccc12
Show InChI InChI=1S/C30H43N3O7S2/c1-38-27-9-10-30(29(21-27)39-2)42(36,37)33-26(8-7-24-5-3-4-6-28(24)33)15-20-41(34,35)32-16-11-25(12-17-32)31-22-23-13-18-40-19-14-23/h3-6,9-10,21,23,25-26,31H,7-8,11-20,22H2,1-2H3
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138n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299350
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccsc2)CCc2ccccc12
Show InChI InChI=1S/C29H37N3O6S3/c1-37-26-9-10-29(28(19-26)38-2)41(35,36)32-25(8-7-23-5-3-4-6-27(23)32)14-18-40(33,34)31-15-11-24(12-16-31)30-20-22-13-17-39-21-22/h3-6,9-10,13,17,19,21,24-25,30H,7-8,11-12,14-16,18,20H2,1-2H3
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145n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299357
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES CCCNC1CCN(CC1)S(=O)(=O)CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(OC)cc1OC
Show InChI InChI=1S/C27H39N3O6S2/c1-4-16-28-22-13-17-29(18-14-22)37(31,32)19-15-23-10-9-21-7-5-6-8-25(21)30(23)38(33,34)27-12-11-24(35-2)20-26(27)36-3/h5-8,11-12,20,22-23,28H,4,9-10,13-19H2,1-3H3
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152n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301399
PNG
(CHEMBL570695 | Diphenyl-[1-(3-p-tolyl-propyl)-pipe...)
Show SMILES Cc1ccc(CCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C28H33NO/c1-23-14-16-24(17-15-23)9-8-20-29-21-18-27(19-22-29)28(30,25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-17,27,30H,8-9,18-22H2,1H3
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155n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299352
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccc(F)cc2)CCc2ccccc12
Show InChI InChI=1S/C31H38FN3O6S2/c1-40-28-13-14-31(30(21-28)41-2)43(38,39)35-27(12-9-24-5-3-4-6-29(24)35)17-20-42(36,37)34-18-15-26(16-19-34)33-22-23-7-10-25(32)11-8-23/h3-8,10-11,13-14,21,26-27,33H,9,12,15-20,22H2,1-2H3
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158n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50299342
PNG
(CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3
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188n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50299351
PNG
(CHEMBL583083 | N-benzyl-1-(2-(1-(2,4-dimethoxyphen...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C31H39N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h3-11,14-15,22,26-27,32H,12-13,16-21,23H2,1-2H3
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192n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50301392
PNG
(4-[4-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]bu...)
Show SMILES OC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C29H33NO3/c31-28(32)24-16-14-23(15-17-24)9-7-8-20-30-21-18-27(19-22-30)29(33,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-6,10-17,27,33H,7-9,18-22H2,(H,31,32)
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203n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting


Bioorg Med Chem Lett 19: 5043-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299342
PNG
(CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3
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208n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299352
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccc(F)cc2)CCc2ccccc12
Show InChI InChI=1S/C31H38FN3O6S2/c1-40-28-13-14-31(30(21-28)41-2)43(38,39)35-27(12-9-24-5-3-4-6-29(24)35)17-20-42(36,37)34-18-15-26(16-19-34)33-22-23-7-10-25(32)11-8-23/h3-8,10-11,13-14,21,26-27,33H,9,12,15-20,22H2,1-2H3
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218n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299357
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES CCCNC1CCN(CC1)S(=O)(=O)CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(OC)cc1OC
Show InChI InChI=1S/C27H39N3O6S2/c1-4-16-28-22-13-17-29(18-14-22)37(31,32)19-15-23-10-9-21-7-5-6-8-25(21)30(23)38(33,34)27-12-11-24(35-2)20-26(27)36-3/h5-8,11-12,20,22-23,28H,4,9-10,13-19H2,1-3H3
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227n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50299354
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1cccc(CNC2CCN(CC2)S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)c1
Show InChI InChI=1S/C32H41N3O7S2/c1-40-28-9-6-7-24(21-28)23-33-26-15-18-34(19-16-26)43(36,37)20-17-27-12-11-25-8-4-5-10-30(25)35(27)44(38,39)32-14-13-29(41-2)22-31(32)42-3/h4-10,13-14,21-22,26-27,33H,11-12,15-20,23H2,1-3H3
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270n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299354
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1cccc(CNC2CCN(CC2)S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)c1
Show InChI InChI=1S/C32H41N3O7S2/c1-40-28-9-6-7-24(21-28)23-33-26-15-18-34(19-16-26)43(36,37)20-17-27-12-11-25-8-4-5-10-30(25)35(27)44(38,39)32-14-13-29(41-2)22-31(32)42-3/h4-10,13-14,21-22,26-27,33H,11-12,15-20,23H2,1-3H3
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279n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299348
PNG
(CHEMBL574450 | N-((1-(4-chlorophenylsulfonyl)-1,2,...)
Show SMILES CN(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(CC1)NCc1cccs1
Show InChI InChI=1S/C28H33ClN4O3S2/c1-31(28(34)32-16-14-23(15-17-32)30-19-25-6-4-18-37-25)20-24-11-8-21-5-2-3-7-27(21)33(24)38(35,36)26-12-9-22(29)10-13-26/h2-7,9-10,12-13,18,23-24,30H,8,11,14-17,19-20H2,1H3
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295n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50299342
PNG
(CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3
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314n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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325n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V2 receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50299352
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccc(F)cc2)CCc2ccccc12
Show InChI InChI=1S/C31H38FN3O6S2/c1-40-28-13-14-31(30(21-28)41-2)43(38,39)35-27(12-9-24-5-3-4-6-29(24)35)17-20-42(36,37)34-18-15-26(16-19-34)33-22-23-7-10-25(32)11-8-23/h3-8,10-11,13-14,21,26-27,33H,9,12,15-20,22H2,1-2H3
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395n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299340
PNG
(CHEMBL576341 | N-cyclobutyl-1-(2-(1-(2,4-dimethoxy...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NC2CCC2)CCc2ccccc12
Show InChI InChI=1S/C28H39N3O6S2/c1-36-25-12-13-28(27(20-25)37-2)39(34,35)31-24(11-10-21-6-3-4-9-26(21)31)16-19-38(32,33)30-17-14-23(15-18-30)29-22-7-5-8-22/h3-4,6,9,12-13,20,22-24,29H,5,7-8,10-11,14-19H2,1-2H3
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413n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299347
PNG
(CHEMBL576147 | N-((1-(4-chlorophenylsulfonyl)-1,2,...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CNC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
Show InChI InChI=1S/C27H31ClN4O3S2/c28-21-8-11-25(12-9-21)37(34,35)32-23(10-7-20-4-1-2-6-26(20)32)18-30-27(33)31-15-13-22(14-16-31)29-19-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2,(H,30,33)
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416n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50299356
PNG
(1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCCc2ccccc2)CCc2ccccc12
Show InChI InChI=1S/C32H41N3O6S2/c1-40-29-14-15-32(31(24-29)41-2)43(38,39)35-28(13-12-26-10-6-7-11-30(26)35)19-23-42(36,37)34-21-17-27(18-22-34)33-20-16-25-8-4-3-5-9-25/h3-11,14-15,24,27-28,33H,12-13,16-23H2,1-2H3
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486n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W
More data for this
Ligand-Target Pair
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