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Compile Data Set for Download or QSAR

Found 415 hits with Last Name = 'reich' and Initial = 'mf'   
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 (V2)


(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 (V2)


(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
Vasopressin V2 receptor (V2)


(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 (V2)


(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 (V2)


(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 (V2)


(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 (V2)


(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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4582
PNG
(4-anilinoquinazoline deriv. 10o | N-{4-[(3-bromoph...)
Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H13BrN4O2/c19-12-3-1-4-13(9-12)23-18-15-10-14(22-17(25)5-2-8-24)6-7-16(15)20-11-21-18/h1,3-4,6-7,9-11,24H,8H2,(H,22,25)(H,20,21,23)
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Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vasopressin V2 receptor (V2)


(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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vasopressin V2 receptor (V2)


(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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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 [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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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 (V2)


(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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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 (V2)


(Homo sapiens (Human))
BDBM50065116
PNG
(CHEMBL81755 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-10-20(29)14-22(17)26(33)30-24-11-9-18(13-23(24)28)27(34)32-16-21-6-4-12-31(21)15-19-5-2-3-7-25(19)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


(Rattus norvegicus (Rat))
BDBM50065119
PNG
(CHEMBL70981 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22FN3O2/c1-18-23(8-4-9-24(18)28)26(32)29-21-13-11-19(12-14-21)27(33)31-17-22-7-5-15-30(22)16-20-6-2-3-10-25(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 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 (V2)


(Homo sapiens (Human))
BDBM50065122
PNG
(CHEMBL306970 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19ClFN3O2/c27-23-14-19(28)9-12-22(23)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 4n/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))
BDBM50065127
PNG
(CHEMBL71797 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O2/c1-19-7-2-4-10-24(19)26(31)28-22-14-12-20(13-15-22)27(32)30-18-23-9-6-16-29(23)17-21-8-3-5-11-25(21)30/h2-16H,17-18H2,1H3,(H,28,31)
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n/an/a 4.10n/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 (V2)


(Homo sapiens (Human))
BDBM50065132
PNG
(CHEMBL420216 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1ccc(C)c(c1)C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C28H24ClN3O2/c1-18-9-10-19(2)24(14-18)27(33)30-21-11-12-23(25(29)15-21)28(34)32-17-22-7-5-13-31(22)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 4.20n/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))
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 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))
BDBM50065120
PNG
(CHEMBL302709 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H20ClN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)
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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))
BDBM50065117
PNG
(CHEMBL304956 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c1C
Show InChI InChI=1S/C28H25N3O2/c1-19-7-5-10-25(20(19)2)27(32)29-23-14-12-21(13-15-23)28(33)31-18-24-9-6-16-30(24)17-22-8-3-4-11-26(22)31/h3-16H,17-18H2,1-2H3,(H,29,32)
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n/an/a 5n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4568
PNG
(4-anilinoquinazoline deriv. 10a | N-{4-[(3-bromoph...)
Show SMILES CN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H18BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3,5-6,8-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)
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n/an/a 6n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50065122
PNG
(CHEMBL306970 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19ClFN3O2/c27-23-14-19(28)9-12-22(23)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 6.30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from vasopressin receptor (V1a) from human platelet 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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50161879
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(3...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(33)14-23)41-19-20-7-5-8-22(32)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161879
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(3...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(Cl)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(33)14-23)41-19-20-7-5-8-22(32)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4566
PNG
(4-anilinoquinazoline deriv. 1 | CHEMBL91867 | N-{4...)
Show SMILES CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)
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n/an/a 8n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50065131
PNG
(CHEMBL82376 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H21Cl2N3O2/c1-17-13-18(8-11-24(17)30-26(33)22-10-9-20(28)14-23(22)29)27(34)32-16-21-6-4-12-31(21)15-19-5-2-3-7-25(19)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))
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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n/an/a 8.30n/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 (V2)


(Homo sapiens (Human))
BDBM50065114
PNG
(CHEMBL314344 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1c(cccc1C(F)(F)F)C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H18ClF4N3O2/c28-22-13-17(33-25(36)20-7-3-8-21(24(20)29)27(30,31)32)10-11-19(22)26(37)35-15-18-6-4-12-34(18)14-16-5-1-2-9-23(16)35/h1-13H,14-15H2,(H,33,36)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4579
PNG
(4-anilinoquinazoline deriv. 10l | N-{4-[(3-bromoph...)
Show SMILES COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H15BrN4O2/c1-26-9-3-6-18(25)23-15-7-8-17-16(11-15)19(22-12-21-17)24-14-5-2-4-13(20)10-14/h2,4-5,7-8,10-12H,9H2,1H3,(H,23,25)(H,21,22,24)
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n/an/a 9n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50161948
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc5ccccc45)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)13-8-16-41(2)3)35(25(20-37)21-38-30)39-26-14-15-32(29(36)17-26)44-22-24-11-7-10-23-9-5-6-12-27(23)24/h5-15,17-19,21H,4,16,22H2,1-3H3,(H,38,39)(H,40,42)/b13-8+
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161903
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(2...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4Cl)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C31H29Cl2N5O3/c1-4-40-29-16-26-23(15-27(29)37-30(39)10-7-13-38(2)3)31(21(17-34)18-35-26)36-22-11-12-28(25(33)14-22)41-19-20-8-5-6-9-24(20)32/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,39)/b10-7+
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065120
PNG
(CHEMBL302709 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H20ClN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)
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n/an/a 10n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver 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))
BDBM50065130
PNG
(CHEMBL71305 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)23-9-3-2-8-22(23)25(34)31-20-13-11-18(12-14-20)26(35)33-17-21-7-5-15-32(21)16-19-6-1-4-10-24(19)33/h1-15H,16-17H2,(H,31,34)
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n/an/a 10.2n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a 11n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4583
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4569
PNG
(4-anilinoquinazoline deriv. 10b | N-{4-[(3-bromoph...)
Show SMILES CCN(CC)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H22BrN5O/c1-3-28(4-2)12-6-9-21(29)26-18-10-11-20-19(14-18)22(25-15-24-20)27-17-8-5-7-16(23)13-17/h5,7-8,10-11,13-15H,3-4,12H2,1-2H3,(H,26,29)(H,24,25,27)
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n/an/a 12n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161956
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(4...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nc(cs4)-c4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C33H29ClN6O2S2/c1-4-42-29-17-26-24(16-27(29)38-31(41)11-8-14-40(2)3)32(22(18-35)19-36-26)37-23-12-13-30(25(34)15-23)44-33-39-28(20-43-33)21-9-6-5-7-10-21/h5-13,15-17,19-20H,4,14H2,1-3H3,(H,36,37)(H,38,41)/b11-8+
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4592
PNG
((2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4...)
Show SMILES CN(CCO)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H22BrN5O2/c1-27(10-11-28)9-3-6-20(29)25-17-7-8-19-18(13-17)21(24-14-23-19)26-16-5-2-4-15(22)12-16/h2-8,12-14,28H,9-11H2,1H3,(H,25,29)(H,23,24,26)/b6-3+
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n/an/a 14n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50065126
PNG
(CHEMBL73286 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O3/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31)
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n/an/a 14n/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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4568
PNG
(4-anilinoquinazoline deriv. 10a | N-{4-[(3-bromoph...)
Show SMILES CN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H18BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3,5-6,8-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)
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n/an/a 14n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
The HER-2 kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161883
PNG
(4-Dimethylamino-but-2-enoic acid [4-(1-benzyl-1H-i...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc4n(Cc5ccccc5)ccc4c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C33H32N6O2/c1-4-41-31-19-28-27(18-29(31)37-32(40)11-8-15-38(2)3)33(25(20-34)21-35-28)36-26-12-13-30-24(17-26)14-16-39(30)22-23-9-6-5-7-10-23/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,35,36)(H,37,40)/b11-8+
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair
Vasopressin V1a 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 15n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from vasopressin receptor (V1a) from human platelet 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))
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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n/an/a 15n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from vasopressin receptor (V1a) from human platelet 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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50161911
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(n...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccc5ccccc5c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)10-7-15-41(2)3)35(26(20-37)21-38-30)39-27-13-14-32(29(36)17-27)44-22-23-11-12-24-8-5-6-9-25(24)16-23/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,38,39)(H,40,42)/b10-7+
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50161926
PNG
(4-Thiomorpholin-4-yl-but-2-enoic acid [4-(4-benzyl...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCSCC1
Show InChI InChI=1S/C33H32ClN5O3S/c1-2-41-31-19-28-26(18-29(31)38-32(40)9-6-12-39-13-15-43-16-14-39)33(24(20-35)21-36-28)37-25-10-11-30(27(34)17-25)42-22-23-7-4-3-5-8-23/h3-11,17-19,21H,2,12-16,22H2,1H3,(H,36,37)(H,38,40)/b9-6+
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50065113
PNG
(CHEMBL310581 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES COc1cc(Cl)ccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22ClN3O3/c1-34-25-15-20(28)10-13-23(25)26(32)29-21-11-8-18(9-12-21)27(33)31-17-22-6-4-14-30(22)16-19-5-2-3-7-24(19)31/h2-15H,16-17H2,1H3,(H,29,32)
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n/an/a 16n/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
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