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Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'smith' and Initial = 'cr'   
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
Oxytocin receptor


(HEK293)
BDBM50262329
PNG
(2-(2-chloro-3-fluorophenyl)-5-(4-(6-methoxypyridin...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1cccc(F)c1Cl
Show InChI InChI=1S/C19H14ClFN6O/c1-11-25-26-19(27(11)12-6-7-17(28-2)24-8-12)16-10-22-15(9-23-16)13-4-3-5-14(21)18(13)20/h3-10H,1-2H3
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262271
PNG
(2-(2-chlorophenyl)-5-(4-(6-methoxypyridin-3-yl)-5-...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccccc1Cl
Show InChI InChI=1S/C19H15ClN6O/c1-12-24-25-19(26(12)13-7-8-18(27-2)23-9-13)17-11-21-16(10-22-17)14-5-3-4-6-15(14)20/h3-11H,1-2H3
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262151
PNG
((3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-1...)
Show SMILES CC(C)C[C@H]1N(C(C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C27H34N4O5/c1-16(2)12-22-25(32)29-23(20-13-18-6-4-5-7-19(18)14-20)26(33)31(22)24(21-15-36-17(3)28-21)27(34)30-8-10-35-11-9-30/h4-7,15-16,20,22-24H,8-14H2,1-3H3,(H,29,32)/t22-,23-,24?/m1/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262209
PNG
(2-(2,3-dimethylphenyl)-5-(5-(methoxymethyl)-4-(6-m...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2cccc(C)c2C)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6O2/c1-14-6-5-7-17(15(14)2)18-11-24-19(12-23-18)22-27-26-20(13-29-3)28(22)16-8-9-21(30-4)25-10-16/h5-12H,13H2,1-4H3
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262270
PNG
(2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C
Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50263857
PNG
((Z)-4-ethoxy-N-(2-oxo-2-(2-(2-oxoindolin-3-ylidene...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H22N4O5S/c1-2-33-18-12-14-19(15-13-18)34(31,32)28(17-8-4-3-5-9-17)16-22(29)26-27-23-20-10-6-7-11-21(20)25-24(23)30/h3-15H,2,16H2,1H3,(H,26,29)(H,25,27,30)
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50326719
PNG
((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...)
Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C |r,TLB:23:22:34:18.19|
Show InChI InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262327
PNG
(4-(5-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(cc2C)C#N)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H19N7O2/c1-14-8-15(9-23)4-6-17(14)18-11-25-19(12-24-18)22-28-27-20(13-30-2)29(22)16-5-7-21(31-3)26-10-16/h4-8,10-12H,13H2,1-3H3
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262207
PNG
(2-Methoxy-5-[3-(2'-methoxy-biphenyl-4-yl)-5-methox...)
Show SMILES COCc1nnc(-c2ccc(cc2)-c2ccccc2OC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C23H22N4O3/c1-28-15-21-25-26-23(27(21)18-12-13-22(30-3)24-14-18)17-10-8-16(9-11-17)19-6-4-5-7-20(19)29-2/h4-14H,15H2,1-3H3
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262210
PNG
(2-(4-fluoro-3-methylphenyl)-5-(5-(methoxymethyl)-4...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(F)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C21H19FN6O2/c1-13-8-14(4-6-16(13)22)17-10-24-18(11-23-17)21-27-26-19(12-29-2)28(21)15-5-7-20(30-3)25-9-15/h4-11H,12H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50263914
PNG
(5-(3-(4-ethoxy-3-methylphenyl)-5-((2-methoxyethoxy...)
Show SMILES CCOc1ccc(cc1C)-c1nnc(COCCOC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N4O4/c1-5-29-18-8-6-16(12-15(18)2)21-24-23-19(14-28-11-10-26-3)25(21)17-7-9-20(27-4)22-13-17/h6-9,12-13H,5,10-11,14H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50263856
PNG
(5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H...)
Show SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
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28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262153
PNG
(4-{2-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCN1CCOCC1 |(3.08,-26.59,;1.54,-26.43,;.77,-25.1,;-.74,-25.43,;-.89,-26.97,;-2.22,-27.75,;-2.21,-29.29,;-3.54,-30.07,;-4.87,-29.29,;-4.89,-27.76,;-3.56,-26.99,;-6.21,-30.07,;-7.54,-29.31,;-8.87,-30.08,;-8.87,-31.62,;-7.54,-32.39,;-6.2,-31.62,;.52,-27.58,;.54,-29.12,;-.78,-29.9,;-.76,-31.44,;.58,-32.19,;1.91,-31.4,;1.88,-29.86,;3.2,-29.06,;4.55,-29.81,;5.87,-29.01,;7.22,-29.76,;7.24,-31.29,;8.58,-32.04,;9.9,-31.25,;9.88,-29.71,;8.53,-28.95,)|
Show InChI InChI=1S/C27H28N4O2/c1-21-28-29-27(24-13-11-23(12-14-24)22-7-3-2-4-8-22)31(21)25-9-5-6-10-26(25)33-20-17-30-15-18-32-19-16-30/h2-14H,15-20H2,1H3
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28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262208
PNG
(2-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccccc2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H18N6O2/c1-27-13-18-24-25-20(26(18)15-8-9-19(28-2)23-10-15)17-12-21-16(11-22-17)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
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43n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262208
PNG
(2-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccccc2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H18N6O2/c1-27-13-18-24-25-20(26(18)15-8-9-19(28-2)23-10-15)17-12-21-16(11-22-17)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50263913
PNG
(5-(3-((2H-1,2,3-triazol-2-yl)methyl)-5-(4-ethoxy-3...)
Show SMILES CCOc1ccc(cc1C)-c1nnc(Cn2nccn2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H21N7O2/c1-4-29-17-7-5-15(11-14(17)2)20-25-24-18(13-26-22-9-10-23-26)27(20)16-6-8-19(28-3)21-12-16/h5-12H,4,13H2,1-3H3
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45n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262152
PNG
((R)-1-(2'-Methyl-biphenyl-4-carbonyl)-5-[1,2,4]oxa...)
Show SMILES CO\N=C1\C[C@@H](N(C1)C(=O)c1ccc(cc1)-c1ccccc1C)c1ncno1 |r|
Show InChI InChI=1S/C21H20N4O3/c1-14-5-3-4-6-18(14)15-7-9-16(10-8-15)21(26)25-12-17(24-27-2)11-19(25)20-22-13-23-28-20/h3-10,13,19H,11-12H2,1-2H3/b24-17-/t19-/m1/s1
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50n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262206
PNG
(3-(2'-Methoxy-biphenyl-4-yl)-4-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1OC
Show InChI InChI=1S/C23H21N3O2/c1-16-24-25-23(26(16)19-12-14-20(27-2)15-13-19)18-10-8-17(9-11-18)21-6-4-5-7-22(21)28-3/h4-15H,1-3H3
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56n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262269
PNG
(3-(5-(5-(methoxymethyl)-4-(pyridin-3-yl)-4H-1,2,4-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2cccc(c2)C#N)n1-c1cccnc1
Show InChI InChI=1S/C20H15N7O/c1-28-13-19-25-26-20(27(19)16-6-3-7-22-10-16)18-12-23-17(11-24-18)15-5-2-4-14(8-15)9-21/h2-8,10-12H,13H2,1H3
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84n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50263859
PNG
(5-(3-(4-ethoxy-3-methylphenyl)-5-(methoxymethyl)-4...)
Show SMILES CCOc1ccc(cc1C)-c1nnc(COC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C19H22N4O3/c1-5-26-16-8-6-14(10-13(16)2)19-22-21-17(12-24-3)23(19)15-7-9-18(25-4)20-11-15/h6-11H,5,12H2,1-4H3
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102n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50262209
PNG
(2-(2,3-dimethylphenyl)-5-(5-(methoxymethyl)-4-(6-m...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2cccc(C)c2C)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6O2/c1-14-6-5-7-17(15(14)2)18-11-24-19(12-23-18)22-27-26-20(13-29-3)28(22)16-8-9-21(30-4)25-10-16/h5-12H,13H2,1-4H3
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103n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262209
PNG
(2-(2,3-dimethylphenyl)-5-(5-(methoxymethyl)-4-(6-m...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2cccc(C)c2C)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6O2/c1-14-6-5-7-17(15(14)2)18-11-24-19(12-23-18)22-27-26-20(13-29-3)28(22)16-8-9-21(30-4)25-10-16/h5-12H,13H2,1-4H3
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132n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262154
PNG
(3-Biphenyl-4-yl-4-(4-methoxy-phenyl)-5-methyl-4H-[...)
Show SMILES COc1ccc(cc1)-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-16-23-24-22(25(16)20-12-14-21(26-2)15-13-20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,1-2H3
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143n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50263858
PNG
(5-(3-(4-ethoxy-3-methylphenyl)-5-methyl-4H-1,2,4-t...)
Show SMILES CCOc1ccc(cc1C)-c1nnc(C)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C18H20N4O2/c1-5-24-16-8-6-14(10-12(16)2)18-21-20-13(3)22(18)15-7-9-17(23-4)19-11-15/h6-11H,5H2,1-4H3
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143n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50263912
PNG
(5-(3-(3-chloro-4-ethoxyphenyl)-5-(methoxymethyl)-4...)
Show SMILES CCOc1ccc(cc1Cl)-c1nnc(COC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-15-7-5-12(9-14(15)19)18-22-21-16(11-24-2)23(18)13-6-8-17(25-3)20-10-13/h5-10H,4,11H2,1-3H3
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144n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50262207
PNG
(2-Methoxy-5-[3-(2'-methoxy-biphenyl-4-yl)-5-methox...)
Show SMILES COCc1nnc(-c2ccc(cc2)-c2ccccc2OC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C23H22N4O3/c1-28-15-21-25-26-23(27(21)18-12-13-22(30-3)24-14-18)17-10-8-16(9-11-17)19-6-4-5-7-20(19)29-2/h4-14H,15H2,1-3H3
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160n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50263860
PNG
(5-(3-(4-ethoxy-3-(trifluoromethyl)phenyl)-5-(metho...)
Show SMILES CCOc1ccc(cc1C(F)(F)F)-c1nnc(COC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C19H19F3N4O3/c1-4-29-15-7-5-12(9-14(15)19(20,21)22)18-25-24-16(11-27-2)26(18)13-6-8-17(28-3)23-10-13/h5-10H,4,11H2,1-3H3
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190n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262328
PNG
(2-(3,4-dimethylphenyl)-5-(5-(methoxymethyl)-4-(6-m...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(C)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6O2/c1-14-5-6-16(9-15(14)2)18-11-24-19(12-23-18)22-27-26-20(13-29-3)28(22)17-7-8-21(30-4)25-10-17/h5-12H,13H2,1-4H3
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201n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262271
PNG
(2-(2-chlorophenyl)-5-(4-(6-methoxypyridin-3-yl)-5-...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccccc1Cl
Show InChI InChI=1S/C19H15ClN6O/c1-12-24-25-19(26(12)13-7-8-18(27-2)23-9-13)17-11-21-16(10-22-17)14-5-3-4-6-15(14)20/h3-11H,1-2H3
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202n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50263913
PNG
(5-(3-((2H-1,2,3-triazol-2-yl)methyl)-5-(4-ethoxy-3...)
Show SMILES CCOc1ccc(cc1C)-c1nnc(Cn2nccn2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H21N7O2/c1-4-29-17-7-5-15(11-14(17)2)20-25-24-18(13-26-22-9-10-23-26)27(20)16-6-8-19(28-3)21-12-16/h5-12H,4,13H2,1-3H3
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214n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262272
PNG
(2-(4-(ethylthio)-2-methylphenyl)-5-(4-(6-methoxypy...)
Show SMILES CCSc1ccc(c(C)c1)-c1cnc(cn1)-c1nnc(C)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6OS/c1-5-30-17-7-8-18(14(2)10-17)19-12-24-20(13-23-19)22-27-26-15(3)28(22)16-6-9-21(29-4)25-11-16/h6-13H,5H2,1-4H3
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232n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262207
PNG
(2-Methoxy-5-[3-(2'-methoxy-biphenyl-4-yl)-5-methox...)
Show SMILES COCc1nnc(-c2ccc(cc2)-c2ccccc2OC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C23H22N4O3/c1-28-15-21-25-26-23(27(21)18-12-13-22(30-3)24-14-18)17-10-8-16(9-11-17)19-6-4-5-7-20(19)29-2/h4-14H,15H2,1-3H3
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270n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262153
PNG
(4-{2-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCN1CCOCC1 |(3.08,-26.59,;1.54,-26.43,;.77,-25.1,;-.74,-25.43,;-.89,-26.97,;-2.22,-27.75,;-2.21,-29.29,;-3.54,-30.07,;-4.87,-29.29,;-4.89,-27.76,;-3.56,-26.99,;-6.21,-30.07,;-7.54,-29.31,;-8.87,-30.08,;-8.87,-31.62,;-7.54,-32.39,;-6.2,-31.62,;.52,-27.58,;.54,-29.12,;-.78,-29.9,;-.76,-31.44,;.58,-32.19,;1.91,-31.4,;1.88,-29.86,;3.2,-29.06,;4.55,-29.81,;5.87,-29.01,;7.22,-29.76,;7.24,-31.29,;8.58,-32.04,;9.9,-31.25,;9.88,-29.71,;8.53,-28.95,)|
Show InChI InChI=1S/C27H28N4O2/c1-21-28-29-27(24-13-11-23(12-14-24)22-7-3-2-4-8-22)31(21)25-9-5-6-10-26(25)33-20-17-30-15-18-32-19-16-30/h2-14H,15-20H2,1H3
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304n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262270
PNG
(2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C
Show InChI InChI=1S/C20H17FN6O/c1-12-8-14(21)4-6-16(12)17-10-23-18(11-22-17)20-26-25-13(2)27(20)15-5-7-19(28-3)24-9-15/h4-11H,1-3H3
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388n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262328
PNG
(2-(3,4-dimethylphenyl)-5-(5-(methoxymethyl)-4-(6-m...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(C)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6O2/c1-14-5-6-16(9-15(14)2)18-11-24-19(12-23-18)22-27-26-20(13-29-3)28(22)17-7-8-21(30-4)25-10-17/h5-12H,13H2,1-4H3
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432n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50262206
PNG
(3-(2'-Methoxy-biphenyl-4-yl)-4-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1OC
Show InChI InChI=1S/C23H21N3O2/c1-16-24-25-23(26(16)19-12-14-20(27-2)15-13-19)18-10-8-17(9-11-18)21-6-4-5-7-22(21)28-3/h4-15H,1-3H3
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500n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262206
PNG
(3-(2'-Methoxy-biphenyl-4-yl)-4-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1OC
Show InChI InChI=1S/C23H21N3O2/c1-16-24-25-23(26(16)19-12-14-20(27-2)15-13-19)18-10-8-17(9-11-18)21-6-4-5-7-22(21)28-3/h4-15H,1-3H3
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525n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50262273
PNG
(2-(4-methoxy-3-methylphenyl)-5-(5-(methoxymethyl)-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(OC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6O3/c1-14-9-15(5-7-19(14)30-3)17-11-24-18(12-23-17)22-27-26-20(13-29-2)28(22)16-6-8-21(31-4)25-10-16/h5-12H,13H2,1-4H3
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537n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta lactamase reporter assay


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50263856
PNG
(5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H...)
Show SMILES CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N4O3/c1-5-26-13-18-22-23-20(15-7-9-17(27-6-2)14(3)11-15)24(18)16-8-10-19(25-4)21-12-16/h7-12H,5-6,13H2,1-4H3
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594n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262329
PNG
(2-(2-chloro-3-fluorophenyl)-5-(4-(6-methoxypyridin...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1cccc(F)c1Cl
Show InChI InChI=1S/C19H14ClFN6O/c1-11-25-26-19(27(11)12-6-7-17(28-2)24-8-12)16-10-22-15(9-23-16)13-4-3-5-14(21)18(13)20/h3-10H,1-2H3
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732n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50263913
PNG
(5-(3-((2H-1,2,3-triazol-2-yl)methyl)-5-(4-ethoxy-3...)
Show SMILES CCOc1ccc(cc1C)-c1nnc(Cn2nccn2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H21N7O2/c1-4-29-17-7-5-15(11-14(17)2)20-25-24-18(13-26-22-9-10-23-26)27(20)16-6-8-19(28-3)21-12-16/h5-12H,4,13H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262210
PNG
(2-(4-fluoro-3-methylphenyl)-5-(5-(methoxymethyl)-4...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(F)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C21H19FN6O2/c1-13-8-14(4-6-16(13)22)17-10-24-18(11-23-17)21-27-26-19(12-29-2)28(21)15-5-7-20(30-3)25-9-15/h4-11H,12H2,1-3H3
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1.22E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50263914
PNG
(5-(3-(4-ethoxy-3-methylphenyl)-5-((2-methoxyethoxy...)
Show SMILES CCOc1ccc(cc1C)-c1nnc(COCCOC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N4O4/c1-5-29-18-8-6-16(12-15(18)2)21-24-23-19(14-28-11-10-26-3)25(21)17-7-9-20(27-4)22-13-17/h6-9,12-13H,5,10-11,14H2,1-4H3
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1.70E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262273
PNG
(2-(4-methoxy-3-methylphenyl)-5-(5-(methoxymethyl)-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(OC)c(C)c2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H22N6O3/c1-14-9-15(5-7-19(14)30-3)17-11-24-18(12-23-17)22-27-26-20(13-29-2)28(22)16-6-8-21(31-4)25-10-16/h5-12H,13H2,1-4H3
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2.41E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50263912
PNG
(5-(3-(3-chloro-4-ethoxyphenyl)-5-(methoxymethyl)-4...)
Show SMILES CCOc1ccc(cc1Cl)-c1nnc(COC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-15-7-5-12(9-14(15)19)18-22-21-16(11-24-2)23(18)13-6-8-17(25-3)20-10-13/h5-10H,4,11H2,1-3H3
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2.90E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262269
PNG
(3-(5-(5-(methoxymethyl)-4-(pyridin-3-yl)-4H-1,2,4-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2cccc(c2)C#N)n1-c1cccnc1
Show InChI InChI=1S/C20H15N7O/c1-28-13-19-25-26-20(27(19)16-6-3-7-22-10-16)18-12-23-17(11-24-18)15-5-2-4-14(8-15)9-21/h2-8,10-12H,13H2,1H3
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3.23E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50263859
PNG
(5-(3-(4-ethoxy-3-methylphenyl)-5-(methoxymethyl)-4...)
Show SMILES CCOc1ccc(cc1C)-c1nnc(COC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C19H22N4O3/c1-5-26-16-8-6-14(10-13(16)2)19-22-21-17(12-24-3)23(19)15-7-9-18(25-4)20-11-15/h6-11H,5,12H2,1-4H3
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3.80E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50262327
PNG
(4-(5-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-...)
Show SMILES COCc1nnc(-c2cnc(cn2)-c2ccc(cc2C)C#N)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C22H19N7O2/c1-14-8-15(9-23)4-6-17(14)18-11-25-19(12-24-18)22-28-27-20(13-30-2)29(22)16-5-7-21(31-3)26-10-16/h4-8,10-12H,13H2,1-3H3
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4.30E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at vassopressin V1a receptor (unknown origin)


Bioorg Med Chem Lett 18: 4278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.098
BindingDB Entry DOI: 10.7270/Q28W3D4Z
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50263914
PNG
(5-(3-(4-ethoxy-3-methylphenyl)-5-((2-methoxyethoxy...)
Show SMILES CCOc1ccc(cc1C)-c1nnc(COCCOC)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N4O4/c1-5-29-18-8-6-16(12-15(18)2)21-24-23-19(14-28-11-10-26-3)25(21)17-7-9-20(27-4)22-13-17/h6-9,12-13H,5,10-11,14H2,1-4H3
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6.40E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair
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