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Compile Data Set for Download or QSAR

Found 505 hits with Last Name = 'chan' and Initial = 'ps'   
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))
BDBM50065118
PNG
(CHEMBL311931 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c1C
Show InChI InChI=1S/C28H24ClN3O2/c1-18-7-5-10-23(19(18)2)27(33)30-21-12-13-24(25(29)15-21)28(34)32-17-22-9-6-14-31(22)16-20-8-3-4-11-26(20)32/h3-15H,16-17H2,1-2H3,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
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-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50078646
PNG
(CHEMBL49322 | N-[4-(4,10-Dihydro-1-thia-9-aza-benz...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2sccc2Cc2ccccc12
Show InChI InChI=1S/C27H22N2O2S/c1-18-6-2-4-8-23(18)26(30)28-22-12-10-19(11-13-22)27(31)29-17-25-21(14-15-32-25)16-20-7-3-5-9-24(20)29/h2-15H,16-17H2,1H3,(H,28,30)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-AVP binding to human V2 receptor from murine fibroblast cell line (LV2)


Bioorg Med Chem Lett 9: 1733-6 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q34
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50065123
PNG
(CHEMBL420031 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C26H18Cl2FN3O2/c27-22-12-17(29)7-9-20(22)25(33)30-18-8-10-21(23(28)13-18)26(34)32-15-19-5-3-11-31(19)14-16-4-1-2-6-24(16)32/h1-13H,14-15H2,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50065121
PNG
(CHEMBL310416 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H22ClN3O2/c1-18-7-2-4-10-22(18)26(32)29-20-12-13-23(24(28)15-20)27(33)31-17-21-9-6-14-30(21)16-19-8-3-5-11-25(19)31/h2-15H,16-17H2,1H3,(H,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50078656
PNG
(CHEMBL46295 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H21FN4O2/c1-17-21(8-4-9-22(17)27)25(32)29-24-12-11-18(14-28-24)26(33)31-16-20-7-5-13-30(20)15-19-6-2-3-10-23(19)31/h2-14H,15-16H2,1H3,(H,28,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
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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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50078652
PNG
(CHEMBL301788 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(cn2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C25H18ClFN4O2/c26-21-12-18(27)8-9-20(21)24(32)29-23-10-7-16(13-28-23)25(33)31-15-19-5-3-11-30(19)14-17-4-1-2-6-22(17)31/h1-13H,14-15H2,(H,28,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
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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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Bioorg Med Chem Lett 10: 783-6 (2000)


BindingDB Entry DOI: 10.7270/Q24M93RK
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50087550
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(5,6,7,8-te...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C28H23ClN2O2S/c29-24-18-20(30-27(32)22-11-5-4-10-21(22)19-8-2-1-3-9-19)13-14-23(24)28(33)31-16-7-6-12-26-25(31)15-17-34-26/h1-5,8-11,13-15,17-18H,6-7,12,16H2,(H,30,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
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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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
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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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-AVP binding to human V2 receptor from murine fibroblast cell line (LV2)


Bioorg Med Chem Lett 9: 1733-6 (1999)


BindingDB Entry DOI: 10.7270/Q2736Q34
More data for this
Ligand-Target Pair
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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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50087670
PNG
(Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-methy...)
Show SMILES CN1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1
Show InChI InChI=1S/C38H36ClN5O2/c1-41-19-21-42(22-20-41)25-30-16-17-31-26-44(36-14-8-5-11-28(36)24-43(30)31)38(46)34-18-15-29(23-35(34)39)40-37(45)33-13-7-6-12-32(33)27-9-3-2-4-10-27/h2-18,23H,19-22,24-26H2,1H3,(H,40,45)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Bioorg Med Chem Lett 10: 783-6 (2000)


BindingDB Entry DOI: 10.7270/Q24M93RK
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50065124
PNG
(CHEMBL68085 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22FN3O2/c1-18-8-11-21(28)15-24(18)26(32)29-22-12-9-19(10-13-22)27(33)31-17-23-6-4-14-30(23)16-20-5-2-3-7-25(20)31/h2-15H,16-17H2,1H3,(H,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50087541
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50078660
PNG
(CHEMBL299532 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Brc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H19BrN4O2/c26-21-9-3-2-8-20(21)24(31)28-23-12-11-17(14-27-23)25(32)30-16-19-7-5-13-29(19)15-18-6-1-4-10-22(18)30/h1-14H,15-16H2,(H,27,28,31)
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n/an/a 1.60n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by solution phase kinase assay


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50087551
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(4,5-dihydr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCc2c[nH]nc2-c2sccc12
Show InChI InChI=1S/C29H21ClN4O2S/c30-24-16-20(32-28(35)22-9-5-4-8-21(22)18-6-2-1-3-7-18)10-11-23(24)29(36)34-14-12-19-17-31-33-26(19)27-25(34)13-15-37-27/h1-11,13,15-17H,12,14H2,(H,31,33)(H,32,35)
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n/an/a 1.70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50078651
PNG
(CHEMBL300963 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H19ClN4O2/c26-21-9-3-2-8-20(21)24(31)28-23-12-11-17(14-27-23)25(32)30-16-19-7-5-13-29(19)15-18-6-1-4-10-22(18)30/h1-14H,15-16H2,(H,27,28,31)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50065111
PNG
(CHEMBL80029 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-21(8-4-9-24(17)29)26(33)30-19-11-12-22(23(28)14-19)27(34)32-16-20-7-5-13-31(20)15-18-6-2-3-10-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50065112
PNG
(CHEMBL81269 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H21Cl2N3O3/c1-35-25-13-17(8-11-23(25)30-26(33)21-10-9-19(28)14-22(21)29)27(34)32-16-20-6-4-12-31(20)15-18-5-2-3-7-24(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173291
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H22N2O/c1-19-8-10-20(11-9-19)21-12-14-22(15-13-21)26(29)28-18-24-6-4-16-27(24)17-23-5-2-3-7-25(23)28/h2-16H,17-18H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024948
PNG
(6-Chloro-3-(7-imidazol-1-yl-heptyl)-1H-quinazoline...)
Show SMILES Clc1ccc2[nH]c(=O)n(CCCCCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C18H21ClN4O2/c19-14-6-7-16-15(12-14)17(24)23(18(25)21-16)10-5-3-1-2-4-9-22-11-8-20-13-22/h6-8,11-13H,1-5,9-10H2,(H,21,25)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024903
PNG
(6-Chloro-3-(4-imidazol-1-yl-butyl)-1H-quinazoline-...)
Show SMILES Clc1ccc2[nH]c(=O)n(CCCCn3ccnc3)c(=O)c2c1
Show InChI InChI=1S/C15H15ClN4O2/c16-11-3-4-13-12(9-11)14(21)20(15(22)18-13)7-2-1-6-19-8-5-17-10-19/h3-5,8-10H,1-2,6-7H2,(H,18,22)
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Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50065129
PNG
(CHEMBL312036 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C28H24FN3O3/c1-18-9-10-20(29)14-24(18)27(33)30-21-11-12-23(26(15-21)35-2)28(34)32-17-22-7-5-13-31(22)16-19-6-3-4-8-25(19)32/h3-15H,16-17H2,1-2H3,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50087664
PNG
(Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-dimet...)
Show SMILES CN(C)C1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1
Show InChI InChI=1S/C40H40ClN5O2/c1-43(2)31-20-22-44(23-21-31)26-32-17-18-33-27-46(38-15-9-6-12-29(38)25-45(32)33)40(48)36-19-16-30(24-37(36)41)42-39(47)35-14-8-7-13-34(35)28-10-4-3-5-11-28/h3-19,24,31H,20-23,25-27H2,1-2H3,(H,42,47)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Bioorg Med Chem Lett 10: 783-6 (2000)


BindingDB Entry DOI: 10.7270/Q24M93RK
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50065125
PNG
(CHEMBL311230 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C26H18Cl3N3O2/c27-17-7-9-20(22(28)12-17)25(33)30-18-8-10-21(23(29)13-18)26(34)32-15-19-5-3-11-31(19)14-16-4-1-2-6-24(16)32/h1-13H,14-15H2,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332622
PNG
(CHEMBL1630782 | N-Methyl-N-((1S,2R,5S)-2-methyl-5-...)
Show SMILES C[C@@H]1CC[C@@H](C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(C)=C |r|
Show InChI InChI=1S/C17H24N4/c1-11(2)13-6-5-12(3)15(9-13)21(4)17-14-7-8-18-16(14)19-10-20-17/h7-8,10,12-13,15H,1,5-6,9H2,2-4H3,(H,18,19,20)/t12-,13+,15+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50065128
PNG
(CHEMBL81133 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(C)c1
Show InChI InChI=1S/C28H24FN3O2/c1-18-9-10-21(29)15-25(18)27(33)30-22-11-12-24(19(2)14-22)28(34)32-17-23-7-5-13-31(23)16-20-6-3-4-8-26(20)32/h3-15H,16-17H2,1-2H3,(H,30,33)
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n/an/a 2.10n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50087675
PNG
(Biphenyl-2-carboxylic acid [4-(3-[1,4']bipiperidin...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCC(CC3)N3CCCCC3)n2Cc2ccccc12
Show InChI InChI=1S/C43H44ClN5O2/c44-40-27-33(45-42(50)38-15-7-6-14-37(38)31-11-3-1-4-12-31)17-20-39(40)43(51)49-30-36-19-18-35(48(36)28-32-13-5-8-16-41(32)49)29-46-25-21-34(22-26-46)47-23-9-2-10-24-47/h1,3-8,11-20,27,34H,2,9-10,21-26,28-30H2,(H,45,50)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Bioorg Med Chem Lett 10: 783-6 (2000)


BindingDB Entry DOI: 10.7270/Q24M93RK
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
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 2.30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
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-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from vasopressin V2 receptor of rat kidney medulla.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50087552
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H25N3O2/c36-31(29-14-6-5-13-28(29)23-9-2-1-3-10-23)33-26-18-16-24(17-19-26)32(37)35-22-27-12-8-20-34(27)21-25-11-4-7-15-30(25)35/h1-20H,21-22H2,(H,33,36)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50087674
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(3-{[(2-dim...)
Show SMILES CN(C)CCN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12
Show InChI InChI=1S/C38H38ClN5O2/c1-41(2)21-22-42(3)25-30-18-19-31-26-44(36-16-10-7-13-28(36)24-43(30)31)38(46)34-20-17-29(23-35(34)39)40-37(45)33-15-9-8-14-32(33)27-11-5-4-6-12-27/h4-20,23H,21-22,24-26H2,1-3H3,(H,40,45)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Bioorg Med Chem Lett 10: 783-6 (2000)


BindingDB Entry DOI: 10.7270/Q24M93RK
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50087541
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)
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n/an/a 2.70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024906
PNG
(3-(3-Imidazol-1-yl-2-methyl-propyl)-6-methyl-1H-qu...)
Show SMILES CC(Cn1ccnc1)Cn1c(=O)[nH]c2ccc(C)cc2c1=O
Show InChI InChI=1S/C16H18N4O2/c1-11-3-4-14-13(7-11)15(21)20(16(22)18-14)9-12(2)8-19-6-5-17-10-19/h3-7,10,12H,8-9H2,1-2H3,(H,18,22)
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n/an/a 3n/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50078654
PNG
(CHEMBL297990 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H22N4O2/c1-18-7-2-4-10-22(18)25(31)28-24-13-12-19(15-27-24)26(32)30-17-21-9-6-14-29(21)16-20-8-3-5-11-23(20)30/h2-15H,16-17H2,1H3,(H,27,28,31)
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n/an/a 3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of (P[3H]-AVP binding towards isolated rat kidney medullary Vasopre ssin V2 receptor


Bioorg Med Chem Lett 9: 1737-40 (1999)


BindingDB Entry DOI: 10.7270/Q23B5ZBZ
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50024934
PNG
(7-Chloro-3-(3-imidazol-1-yl-2-methyl-propyl)-1H-qu...)
Show SMILES CC(Cn1ccnc1)Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C15H15ClN4O2/c1-10(7-19-5-4-17-9-19)8-20-14(21)12-3-2-11(16)6-13(12)18-15(20)22/h2-6,9-10H,7-8H2,1H3,(H,18,22)
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n/an/a 3n/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats


J Med Chem 30: 2277-83 (1988)


BindingDB Entry DOI: 10.7270/Q23T9HT6
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173297
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES O=C(N1Cc2cccn2Cc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H20N2O/c28-25(21-14-12-20(13-15-21)19-7-2-1-3-8-19)27-18-23-10-6-16-26(23)17-22-9-4-5-11-24(22)27/h1-16H,17-18H2
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50065110
PNG
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)
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n/an/a 3.10n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from vasopressin V2 receptor of rat kidney medulla.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50065110
PNG
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)
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n/an/a 3.10n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50065110
PNG
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)
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n/an/a 3.20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 by solution phase kinase assay


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50065110
PNG
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)
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n/an/a 3.20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50087543
PNG
(Biphenyl-2-carboxylic acid [4-(2-chloro-5,6,7,8-te...)
Show SMILES Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C28H23ClN2O2S/c29-26-18-24-25(34-26)12-6-7-17-31(24)28(33)20-13-15-21(16-14-20)30-27(32)23-11-5-4-10-22(23)19-8-2-1-3-9-19/h1-5,8-11,13-16,18H,6-7,12,17H2,(H,30,32)
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n/an/a 3.20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)
BDBM50087552
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H25N3O2/c36-31(29-14-6-5-13-28(29)23-9-2-1-3-10-23)33-26-18-16-24(17-19-26)32(37)35-22-27-12-8-20-34(27)21-25-11-4-7-15-30(25)35/h1-20H,21-22H2,(H,33,36)
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat V1a receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50087542
PNG
(CHEMBL350089 | N-[3-Chloro-4-(5,6,7,8-tetrahydro-t...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc23)c(Cl)c1
Show InChI InChI=1S/C23H20ClFN2O2S/c1-14-5-6-15(25)12-18(14)22(28)26-16-7-8-17(19(24)13-16)23(29)27-10-3-2-4-21-20(27)9-11-30-21/h5-9,11-13H,2-4,10H2,1H3,(H,26,28)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V2 receptor


Bioorg Med Chem Lett 10: 695-8 (2000)


BindingDB Entry DOI: 10.7270/Q2X34WP8
More data for this
Ligand-Target Pair
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