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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'hulskotte' and Initial = 'eg'   
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



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b 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



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Oxytocin 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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19n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
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



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor at 5 uM


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V2 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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325n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50338810
PNG
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33)
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n/an/a 2n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338810
PNG
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33)
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n/an/a 3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338810
PNG
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33)
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n/an/a 3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338798
PNG
(CHEMBL1684561 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C27H34N4O5/c1-19(2)28-25(32)18-31-26(20-6-4-7-21(16-20)34-3)29-24-9-8-22(17-23(24)27(31)33)36-13-5-10-30-11-14-35-15-12-30/h4,6-9,16-17,19H,5,10-15,18H2,1-3H3,(H,28,32)
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n/an/a 4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50338811
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33)
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n/an/a 4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338799
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O4/c1-18(2)28-24(32)17-31-25(19-5-3-6-20(27)15-19)29-23-8-7-21(16-22(23)26(31)33)35-12-4-9-30-10-13-34-14-11-30/h3,5-8,15-16,18H,4,9-14,17H2,1-2H3,(H,28,32)
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n/an/a 5n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338811
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33)
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n/an/a 6n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338811
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33)
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n/an/a 6n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338780
PNG
(CHEMBL1684408 | N-(cyclopropylmethyl)-2-(2-(3-meth...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C28H34N4O5/c1-35-22-5-2-4-21(16-22)27-30-25-9-8-23(37-13-3-10-31-11-14-36-15-12-31)17-24(25)28(34)32(27)19-26(33)29-18-20-6-7-20/h2,4-5,8-9,16-17,20H,3,6-7,10-15,18-19H2,1H3,(H,29,33)
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n/an/a 15n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338808
PNG
(CHEMBL1684571 | N-cyclopropyl-2-(2-(3-methoxypheny...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC1CC1
Show InChI InChI=1S/C28H34N4O4/c1-35-22-8-5-7-20(17-22)27-30-25-12-11-23(36-16-6-15-31-13-3-2-4-14-31)18-24(25)28(34)32(27)19-26(33)29-21-9-10-21/h5,7-8,11-12,17-18,21H,2-4,6,9-10,13-16,19H2,1H3,(H,29,33)
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n/an/a 17n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338797
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES Clc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NC1CC1
Show InChI InChI=1S/C26H29ClN4O4/c27-19-4-1-3-18(15-19)25-29-23-8-7-21(35-12-2-9-30-10-13-34-14-11-30)16-22(23)26(33)31(25)17-24(32)28-20-5-6-20/h1,3-4,7-8,15-16,20H,2,5-6,9-14,17H2,(H,28,32)
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n/an/a 26n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338781
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES Clc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C27H31ClN4O4/c28-21-4-1-3-20(15-21)26-30-24-8-7-22(36-12-2-9-31-10-13-35-14-11-31)16-23(24)27(34)32(26)18-25(33)29-17-19-5-6-19/h1,3-4,7-8,15-16,19H,2,5-6,9-14,17-18H2,(H,29,33)
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n/an/a 30n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338796
PNG
(CHEMBL1684559 | N-cyclopropyl-2-(2-(3-methoxypheny...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NC1CC1
Show InChI InChI=1S/C27H32N4O5/c1-34-21-5-2-4-19(16-21)26-29-24-9-8-22(36-13-3-10-30-11-14-35-15-12-30)17-23(24)27(33)31(26)18-25(32)28-20-6-7-20/h2,4-5,8-9,16-17,20H,3,6-7,10-15,18H2,1H3,(H,28,32)
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n/an/a 34n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338794
PNG
(2-(2-(3-methoxyphenyl)-6-(3-morpholinopropoxy)-4-o...)
Show SMILES CCCNC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C27H34N4O5/c1-3-10-28-25(32)19-31-26(20-6-4-7-21(17-20)34-2)29-24-9-8-22(18-23(24)27(31)33)36-14-5-11-30-12-15-35-16-13-30/h4,6-9,17-18H,3,5,10-16,19H2,1-2H3,(H,28,32)
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n/an/a 42n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338809
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES Clc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC1CC1
Show InChI InChI=1S/C27H31ClN4O3/c28-20-7-4-6-19(16-20)26-30-24-11-10-22(35-15-5-14-31-12-2-1-3-13-31)17-23(24)27(34)32(26)18-25(33)29-21-8-9-21/h4,6-7,10-11,16-17,21H,1-3,5,8-9,12-15,18H2,(H,29,33)
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n/an/a 46n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338807
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CCCNC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN4O3/c1-2-12-29-25(33)19-32-26(20-8-6-9-21(28)17-20)30-24-11-10-22(18-23(24)27(32)34)35-16-7-15-31-13-4-3-5-14-31/h6,8-11,17-18H,2-5,7,12-16,19H2,1H3,(H,29,33)
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n/an/a 49n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338795
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES CCCNC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O4/c1-2-9-28-24(32)18-31-25(19-5-3-6-20(27)16-19)29-23-8-7-21(17-22(23)26(31)33)35-13-4-10-30-11-14-34-15-12-30/h3,5-8,16-17H,2,4,9-15,18H2,1H3,(H,28,32)
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n/an/a 59n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338806
PNG
(2-(2-(3-methoxyphenyl)-4-oxo-6-(3-(piperidin-1-yl)...)
Show SMILES CCCNC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C28H36N4O4/c1-3-13-29-26(33)20-32-27(21-9-7-10-22(18-21)35-2)30-25-12-11-23(19-24(25)28(32)34)36-17-8-16-31-14-5-4-6-15-31/h7,9-12,18-19H,3-6,8,13-17,20H2,1-2H3,(H,29,33)
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n/an/a 72n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338792
PNG
(CHEMBL1684555 | N-ethyl-2-(2-(3-methoxyphenyl)-6-(...)
Show SMILES CCNC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C26H32N4O5/c1-3-27-24(31)18-30-25(19-6-4-7-20(16-19)33-2)28-23-9-8-21(17-22(23)26(30)32)35-13-5-10-29-11-14-34-15-12-29/h4,6-9,16-17H,3,5,10-15,18H2,1-2H3,(H,27,31)
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n/an/a 86n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338782
PNG
(CHEMBL1684410 | N-(cyclopropylmethyl)-2-(2-(3-fluo...)
Show SMILES Fc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C27H31FN4O4/c28-21-4-1-3-20(15-21)26-30-24-8-7-22(36-12-2-9-31-10-13-35-14-11-31)16-23(24)27(34)32(26)18-25(33)29-17-19-5-6-19/h1,3-4,7-8,15-16,19H,2,5-6,9-14,17-18H2,(H,29,33)
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n/an/a 113n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338793
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES CCNC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H29ClN4O4/c1-2-27-23(31)17-30-24(18-5-3-6-19(26)15-18)28-22-8-7-20(16-21(22)25(30)32)34-12-4-9-29-10-13-33-14-11-29/h3,5-8,15-16H,2,4,9-14,17H2,1H3,(H,27,31)
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n/an/a 122n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338779
PNG
(CHEMBL1684407 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES Cc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C28H34N4O4/c1-20-4-2-5-22(16-20)27-30-25-9-8-23(36-13-3-10-31-11-14-35-15-12-31)17-24(25)28(34)32(27)19-26(33)29-18-21-6-7-21/h2,4-5,8-9,16-17,21H,3,6-7,10-15,18-19H2,1H3,(H,29,33)
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n/an/a 125n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338804
PNG
(CHEMBL1684567 | N-ethyl-2-(2-(3-methoxyphenyl)-4-o...)
Show SMILES CCNC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C27H34N4O4/c1-3-28-25(32)19-31-26(20-9-7-10-21(17-20)34-2)29-24-12-11-22(18-23(24)27(31)33)35-16-8-15-30-13-5-4-6-14-30/h7,9-12,17-18H,3-6,8,13-16,19H2,1-2H3,(H,28,32)
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n/an/a 152n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338805
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CCNC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O3/c1-2-28-24(32)18-31-25(19-8-6-9-20(27)16-19)29-23-11-10-21(17-22(23)26(31)33)34-15-7-14-30-12-4-3-5-13-30/h6,8-11,16-17H,2-5,7,12-15,18H2,1H3,(H,28,32)
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n/an/a 196n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338777
PNG
(CHEMBL1684405 | N-(cyclopropylmethyl)-2-(2-(4-fluo...)
Show SMILES Fc1ccc(cc1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C27H31FN4O4/c28-21-6-4-20(5-7-21)26-30-24-9-8-22(36-13-1-10-31-11-14-35-15-12-31)16-23(24)27(34)32(26)18-25(33)29-17-19-2-3-19/h4-9,16,19H,1-3,10-15,17-18H2,(H,29,33)
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n/an/a 250n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338790
PNG
(2-(2-(3-methoxyphenyl)-6-(3-morpholinopropoxy)-4-o...)
Show SMILES CNC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C25H30N4O5/c1-26-23(30)17-29-24(18-5-3-6-19(15-18)32-2)27-22-8-7-20(16-21(22)25(29)31)34-12-4-9-28-10-13-33-14-11-28/h3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,26,30)
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n/an/a 325n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338785
PNG
(CHEMBL1684548 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccs1)NCC1CC1
Show InChI InChI=1S/C25H30N4O4S/c30-23(26-16-18-4-5-18)17-29-24(22-3-1-14-34-22)27-21-7-6-19(15-20(21)25(29)31)33-11-2-8-28-9-12-32-13-10-28/h1,3,6-7,14-15,18H,2,4-5,8-13,16-17H2,(H,26,30)
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n/an/a 328n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338778
PNG
(CHEMBL1684406 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES Cc1ccccc1-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C28H34N4O4/c1-20-5-2-3-6-23(20)27-30-25-10-9-22(36-14-4-11-31-12-15-35-16-13-31)17-24(25)28(34)32(27)19-26(33)29-18-21-7-8-21/h2-3,5-6,9-10,17,21H,4,7-8,11-16,18-19H2,1H3,(H,29,33)
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n/an/a 366n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338788
PNG
(2-(2-(1H-indol-3-yl)-6-(3-morpholinopropoxy)-4-oxo...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1c[nH]c2ccccc12)NCC1CC1
Show InChI InChI=1S/C29H33N5O4/c35-27(31-17-20-6-7-20)19-34-28(24-18-30-25-5-2-1-4-22(24)25)32-26-9-8-21(16-23(26)29(34)36)38-13-3-10-33-11-14-37-15-12-33/h1-2,4-5,8-9,16,18,20,30H,3,6-7,10-15,17,19H2,(H,31,35)
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n/an/a 387n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338786
PNG
(CHEMBL1684549 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1ccsc1)NCC1CC1
Show InChI InChI=1S/C25H30N4O4S/c30-23(26-15-18-2-3-18)16-29-24(19-6-13-34-17-19)27-22-5-4-20(14-21(22)25(29)31)33-10-1-7-28-8-11-32-12-9-28/h4-6,13-14,17-18H,1-3,7-12,15-16H2,(H,26,30)
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n/an/a 470n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338787
PNG
(CHEMBL1684550 | N-(cyclopropylmethyl)-2-(2-(furan-...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1ccoc1)NCC1CC1
Show InChI InChI=1S/C25H30N4O5/c30-23(26-15-18-2-3-18)16-29-24(19-6-11-33-17-19)27-22-5-4-20(14-21(22)25(29)31)34-10-1-7-28-8-12-32-13-9-28/h4-6,11,14,17-18H,1-3,7-10,12-13,15-16H2,(H,26,30)
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n/an/a 644n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338776
PNG
(2-(2-(4-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES Clc1ccc(cc1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C27H31ClN4O4/c28-21-6-4-20(5-7-21)26-30-24-9-8-22(36-13-1-10-31-11-14-35-15-12-31)16-23(24)27(34)32(26)18-25(33)29-17-19-2-3-19/h4-9,16,19H,1-3,10-15,17-18H2,(H,29,33)
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n/an/a 800n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338775
PNG
(CHEMBL1684403 | N-(cyclopropylmethyl)-2-(2-(4-meth...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C28H34N4O5/c1-35-22-7-5-21(6-8-22)27-30-25-10-9-23(37-14-2-11-31-12-15-36-16-13-31)17-24(25)28(34)32(27)19-26(33)29-18-20-3-4-20/h5-10,17,20H,2-4,11-16,18-19H2,1H3,(H,29,33)
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n/an/a 1.03E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338783
PNG
(CHEMBL1684546 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccnc1)NCC1CC1
Show InChI InChI=1S/C26H31N5O4/c32-24(28-16-19-4-5-19)18-31-25(20-3-1-8-27-17-20)29-23-7-6-21(15-22(23)26(31)33)35-12-2-9-30-10-13-34-14-11-30/h1,3,6-8,15,17,19H,2,4-5,9-14,16,18H2,(H,28,32)
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n/an/a 1.35E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338774
PNG
(CHEMBL1684402 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES Cc1ccc(cc1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C28H34N4O4/c1-20-3-7-22(8-4-20)27-30-25-10-9-23(36-14-2-11-31-12-15-35-16-13-31)17-24(25)28(34)32(27)19-26(33)29-18-21-5-6-21/h3-4,7-10,17,21H,2,5-6,11-16,18-19H2,1H3,(H,29,33)
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n/an/a 1.45E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338803
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CNC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H29ClN4O3/c1-27-23(31)17-30-24(18-7-5-8-19(26)15-18)28-22-10-9-20(16-21(22)25(30)32)33-14-6-13-29-11-3-2-4-12-29/h5,7-10,15-16H,2-4,6,11-14,17H2,1H3,(H,27,31)
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n/an/a 2.35E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338789
PNG
(CHEMBL1684552 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cnc2ccccc2c1)NCC1CC1
Show InChI InChI=1S/C30H33N5O4/c36-28(32-18-21-6-7-21)20-35-29(23-16-22-4-1-2-5-26(22)31-19-23)33-27-9-8-24(17-25(27)30(35)37)39-13-3-10-34-11-14-38-15-12-34/h1-2,4-5,8-9,16-17,19,21H,3,6-7,10-15,18,20H2,(H,32,36)
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n/an/a 2.40E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338802
PNG
(2-(2-(3-methoxyphenyl)-4-oxo-6-(3-(piperidin-1-yl)...)
Show SMILES CNC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C26H32N4O4/c1-27-24(31)18-30-25(19-8-6-9-20(16-19)33-2)28-23-11-10-21(17-22(23)26(30)32)34-15-7-14-29-12-4-3-5-13-29/h6,8-11,16-17H,3-5,7,12-15,18H2,1-2H3,(H,27,31)
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n/an/a 2.50E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338784
PNG
(CHEMBL1684547 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1ccncc1)NCC1CC1
Show InChI InChI=1S/C26H31N5O4/c32-24(28-17-19-2-3-19)18-31-25(20-6-8-27-9-7-20)29-23-5-4-21(16-22(23)26(31)33)35-13-1-10-30-11-14-34-15-12-30/h4-9,16,19H,1-3,10-15,17-18H2,(H,28,32)
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n/an/a 3.10E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338791
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES CNC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)16-29-23(17-4-2-5-18(25)14-17)27-21-7-6-19(15-20(21)24(29)31)33-11-3-8-28-9-12-32-13-10-28/h2,4-7,14-15H,3,8-13,16H2,1H3,(H,26,30)
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n/an/a 6.05E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338813
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CN(C)C(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O3/c1-29(2)24(32)18-31-25(19-8-6-9-20(27)16-19)28-23-11-10-21(17-22(23)26(31)33)34-15-7-14-30-12-4-3-5-13-30/h6,8-11,16-17H,3-5,7,12-15,18H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338812
PNG
(2-(2-(3-methoxyphenyl)-4-oxo-6-(3-(piperidin-1-yl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)N(C)C
Show InChI InChI=1S/C27H34N4O4/c1-29(2)25(32)19-31-26(20-9-7-10-21(17-20)34-3)28-24-12-11-22(18-23(24)27(31)33)35-16-8-15-30-13-5-4-6-14-30/h7,9-12,17-18H,4-6,8,13-16,19H2,1-3H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338800
PNG
(2-(2-(3-methoxyphenyl)-6-(3-morpholinopropoxy)-4-o...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)N(C)C
Show InChI InChI=1S/C26H32N4O5/c1-28(2)24(31)18-30-25(19-6-4-7-20(16-19)33-3)27-23-9-8-21(17-22(23)26(30)32)35-13-5-10-29-11-14-34-15-12-29/h4,6-9,16-17H,5,10-15,18H2,1-3H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338801
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES CN(C)C(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H29ClN4O4/c1-28(2)23(31)17-30-24(18-5-3-6-19(26)15-18)27-22-8-7-20(16-21(22)25(30)32)34-12-4-9-29-10-13-33-14-11-29/h3,5-8,15-16H,4,9-14,17H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50338810
PNG
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
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