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PubMed code 17855087

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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))		BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed in mouse LV2 cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50222059
PNG
(CHEMBL392363 | N-[3-chloro-4-(3-oxo-2,3-dihydro-1H...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1 |t:19|
Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,30,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50222058
PNG
(CHEMBL237772 | N-[3-chloro-4-(3-oxo-11,11a-dihydro...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc23)c(Cl)c1 |w:19.19,c:21|
Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-13,20H,14-15H2,1H3,(H,30,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50177593
PNG
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed in mouse LV2 cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50177593
PNG
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50177593
PNG
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50222058
PNG
(CHEMBL237772 | N-[3-chloro-4-(3-oxo-11,11a-dihydro...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc23)c(Cl)c1 |w:19.19,c:21|
Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-13,20H,14-15H2,1H3,(H,30,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50222059
PNG
(CHEMBL392363 | N-[3-chloro-4-(3-oxo-2,3-dihydro-1H...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1 |t:19|
Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,30,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50222057
PNG
(2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benzamid...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(O)=O)c(Cl)c1
Show InChI InChI=1S/C22H16ClFN2O4/c1-12-6-7-13(24)10-17(12)21(28)25-14-8-9-15(18(23)11-14)20(27)26-19-5-3-2-4-16(19)22(29)30/h2-11H,1H3,(H,25,28)(H,26,27)(H,29,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50222060
PNG
(1-(2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benza...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(O)=O)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O4/c1-16-8-9-18(29)13-21(16)26(34)30-19-10-11-20(22(28)14-19)25(33)31-23-6-3-2-5-17(23)15-32-12-4-7-24(32)27(35)36/h2-14H,15H2,1H3,(H,30,34)(H,31,33)(H,35,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50222060
PNG
(1-(2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benza...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(O)=O)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O4/c1-16-8-9-18(29)13-21(16)26(34)30-19-10-11-20(22(28)14-19)25(33)31-23-6-3-2-5-17(23)15-32-12-4-7-24(32)27(35)36/h2-14H,15H2,1H3,(H,30,34)(H,31,33)(H,35,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50222058
PNG
(CHEMBL237772 | N-[3-chloro-4-(3-oxo-11,11a-dihydro...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc23)c(Cl)c1 |w:19.19,c:21|
Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-13,20H,14-15H2,1H3,(H,30,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50222057
PNG
(2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benzamid...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(O)=O)c(Cl)c1
Show InChI InChI=1S/C22H16ClFN2O4/c1-12-6-7-13(24)10-17(12)21(28)25-14-8-9-15(18(23)11-14)20(27)26-19-5-3-2-4-16(19)22(29)30/h2-11H,1H3,(H,25,28)(H,26,27)(H,29,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50222059
PNG
(CHEMBL392363 | N-[3-chloro-4-(3-oxo-2,3-dihydro-1H...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1 |t:19|
Show InChI InChI=1S/C27H21ClFN3O3/c1-16-6-7-18(29)12-22(16)26(34)30-19-8-10-21(23(28)13-19)27(35)32-15-20-9-11-25(33)31(20)14-17-4-2-3-5-24(17)32/h2-8,10,12-13,15H,9,11,14H2,1H3,(H,30,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50222057
PNG
(2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benzamid...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(O)=O)c(Cl)c1
Show InChI InChI=1S/C22H16ClFN2O4/c1-12-6-7-13(24)10-17(12)21(28)25-14-8-9-15(18(23)11-14)20(27)26-19-5-3-2-4-16(19)22(29)30/h2-11H,1H3,(H,25,28)(H,26,27)(H,29,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50222060
PNG
(1-(2-(2-chloro-4-(5-fluoro-2-methylbenzamido)benza...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(O)=O)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O4/c1-16-8-9-18(29)13-21(16)26(34)30-19-10-11-20(22(28)14-19)25(33)31-23-6-3-2-5-17(23)15-32-12-4-7-24(32)27(35)36/h2-14H,15H2,1H3,(H,30,34)(H,31,33)(H,35,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]Manning ligand from human vasopressin V1a receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50222061
PNG
(10-[2-chloro-4-(3-methyl-pyrazol-1-yl)-benzoyl]-1,...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1 |t:14|
Show InChI InChI=1S/C23H19ClN4O2/c1-15-10-11-28(25-15)17-6-8-19(20(24)12-17)23(30)27-14-18-7-9-22(29)26(18)13-16-4-2-3-5-21(16)27/h2-6,8,10-12,14H,7,9,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed in mouse LV2 cells

Bioorg Med Chem Lett 17: 5796-800 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.053
BindingDB Entry DOI: 10.7270/Q2NV9J05
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%