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Compile Data Set for Download or QSAR

Found 357 hits with Last Name = 'duncton' and Initial = 'ma'   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144846
PNG
((S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144835
PNG
((S)-1-Methyl-2-(6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1ccc2CCN(C[C@H](C)N)c2c1
Show InChI InChI=1S/C12H18N2S/c1-9(13)8-14-6-5-10-3-4-11(15-2)7-12(10)14/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144839
PNG
((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...)
Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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6.90n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144842
PNG
((S)-1-Methyl-2-(2,3,7,8-tetrahydro-furo[2,3-g]indo...)
Show SMILES C[C@H](N)CN1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C13H18N2O/c1-9(14)8-15-6-4-10-2-3-12-11(13(10)15)5-7-16-12/h2-3,9H,4-8,14H2,1H3/t9-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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9n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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12n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144837
PNG
((S)-2-(6-Chloro-2,3-dihydro-indol-1-yl)-1-methyl-e...)
Show SMILES C[C@H](N)CN1CCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H15ClN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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13n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144845
PNG
((S)-2-(6-Chloro-5-fluoro-2,3-dihydro-indol-1-yl)-1...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H14ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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14n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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14n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2A receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144836
PNG
((S)-2-(6-Ethylsulfanyl-2,3-dihydro-indol-1-yl)-1-m...)
Show SMILES CCSc1ccc2CCN(C[C@H](C)N)c2c1
Show InChI InChI=1S/C13H20N2S/c1-3-16-12-5-4-11-6-7-15(9-10(2)14)13(11)8-12/h4-5,8,10H,3,6-7,9,14H2,1-2H3/t10-/m0/s1
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16n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144838
PNG
((S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-m...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(I)cc12
Show InChI InChI=1S/C11H14FIN2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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17n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144846
PNG
((S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1
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21n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144840
PNG
((S)-2-(6-Bromo-2,3-dihydro-indol-1-yl)-1-methyl-et...)
Show SMILES C[C@H](N)CN1CCc2ccc(Br)cc12
Show InChI InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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24n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144843
PNG
((S)-2-(5-Fluoro-6-trifluoromethyl-2,3-dihydro-indo...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(cc12)C(F)(F)F
Show InChI InChI=1S/C12H14F4N2/c1-7(17)6-18-3-2-8-4-10(13)9(5-11(8)18)12(14,15)16/h4-5,7H,2-3,6,17H2,1H3/t7-/m0/s1
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26n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144845
PNG
((S)-2-(6-Chloro-5-fluoro-2,3-dihydro-indol-1-yl)-1...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H14ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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31n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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32n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144844
PNG
((S)-1-Methyl-2-(2,3,8,9-tetrahydro-7H-pyrano[2,3-g...)
Show SMILES C[C@H](N)CN1CCc2ccc3OCCCc3c12
Show InChI InChI=1S/C14H20N2O/c1-10(15)9-16-7-6-11-4-5-13-12(14(11)16)3-2-8-17-13/h4-5,10H,2-3,6-9,15H2,1H3/t10-/m0/s1
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38n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144838
PNG
((S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-m...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(I)cc12
Show InChI InChI=1S/C11H14FIN2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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38n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
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38n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144840
PNG
((S)-2-(6-Bromo-2,3-dihydro-indol-1-yl)-1-methyl-et...)
Show SMILES C[C@H](N)CN1CCc2ccc(Br)cc12
Show InChI InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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46n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144842
PNG
((S)-1-Methyl-2-(2,3,7,8-tetrahydro-furo[2,3-g]indo...)
Show SMILES C[C@H](N)CN1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C13H18N2O/c1-9(14)8-15-6-4-10-2-3-12-11(13(10)15)5-7-16-12/h2-3,9H,4-8,14H2,1H3/t9-/m0/s1
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49n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144846
PNG
((S)-2-(5-Fluoro-6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C12H17FN2S/c1-8(14)7-15-4-3-9-5-10(13)12(16-2)6-11(9)15/h5-6,8H,3-4,7,14H2,1-2H3/t8-/m0/s1
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53n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2A receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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54n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144837
PNG
((S)-2-(6-Chloro-2,3-dihydro-indol-1-yl)-1-methyl-e...)
Show SMILES C[C@H](N)CN1CCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H15ClN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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54n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2A receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144839
PNG
((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...)
Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1
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58n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144839
PNG
((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...)
Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1
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62n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144843
PNG
((S)-2-(5-Fluoro-6-trifluoromethyl-2,3-dihydro-indo...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(cc12)C(F)(F)F
Show InChI InChI=1S/C12H14F4N2/c1-7(17)6-18-3-2-8-4-10(13)9(5-11(8)18)12(14,15)16/h4-5,7H,2-3,6,17H2,1H3/t7-/m0/s1
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88n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144835
PNG
((S)-1-Methyl-2-(6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1ccc2CCN(C[C@H](C)N)c2c1
Show InChI InChI=1S/C12H18N2S/c1-9(13)8-14-6-5-10-3-4-11(15-2)7-12(10)14/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m0/s1
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89n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2A receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144842
PNG
((S)-1-Methyl-2-(2,3,7,8-tetrahydro-furo[2,3-g]indo...)
Show SMILES C[C@H](N)CN1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C13H18N2O/c1-9(14)8-15-6-4-10-2-3-12-11(13(10)15)5-7-16-12/h2-3,9H,4-8,14H2,1H3/t9-/m0/s1
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112n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144838
PNG
((S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-m...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(I)cc12
Show InChI InChI=1S/C11H14FIN2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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139n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144845
PNG
((S)-2-(6-Chloro-5-fluoro-2,3-dihydro-indol-1-yl)-1...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H14ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
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167n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144835
PNG
((S)-1-Methyl-2-(6-methylsulfanyl-2,3-dihydro-indol...)
Show SMILES CSc1ccc2CCN(C[C@H](C)N)c2c1
Show InChI InChI=1S/C12H18N2S/c1-9(13)8-14-6-5-10-3-4-11(15-2)7-12(10)14/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m0/s1
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171n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144836
PNG
((S)-2-(6-Ethylsulfanyl-2,3-dihydro-indol-1-yl)-1-m...)
Show SMILES CCSc1ccc2CCN(C[C@H](C)N)c2c1
Show InChI InChI=1S/C13H20N2S/c1-3-16-12-5-4-11-6-7-15(9-10(2)14)13(11)8-12/h4-5,8,10H,3,6-7,9,14H2,1-2H3/t10-/m0/s1
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184n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144836
PNG
((S)-2-(6-Ethylsulfanyl-2,3-dihydro-indol-1-yl)-1-m...)
Show SMILES CCSc1ccc2CCN(C[C@H](C)N)c2c1
Show InChI InChI=1S/C13H20N2S/c1-3-16-12-5-4-11-6-7-15(9-10(2)14)13(11)8-12/h4-5,8,10H,3,6-7,9,14H2,1-2H3/t10-/m0/s1
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189n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2A receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144840
PNG
((S)-2-(6-Bromo-2,3-dihydro-indol-1-yl)-1-methyl-et...)
Show SMILES C[C@H](N)CN1CCc2ccc(Br)cc12
Show InChI InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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351n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50144844
PNG
((S)-1-Methyl-2-(2,3,8,9-tetrahydro-7H-pyrano[2,3-g...)
Show SMILES C[C@H](N)CN1CCc2ccc3OCCCc3c12
Show InChI InChI=1S/C14H20N2O/c1-10(15)9-16-7-6-11-4-5-13-12(14(11)16)3-2-8-17-13/h4-5,10H,2-3,6-9,15H2,1H3/t10-/m0/s1
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355n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2A receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144837
PNG
((S)-2-(6-Chloro-2,3-dihydro-indol-1-yl)-1-methyl-e...)
Show SMILES C[C@H](N)CN1CCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H15ClN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1
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364n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144844
PNG
((S)-1-Methyl-2-(2,3,8,9-tetrahydro-7H-pyrano[2,3-g...)
Show SMILES C[C@H](N)CN1CCc2ccc3OCCCc3c12
Show InChI InChI=1S/C14H20N2O/c1-10(15)9-16-7-6-11-4-5-13-12(14(11)16)3-2-8-17-13/h4-5,10H,2-3,6-9,15H2,1H3/t10-/m0/s1
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395n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144843
PNG
((S)-2-(5-Fluoro-6-trifluoromethyl-2,3-dihydro-indo...)
Show SMILES C[C@H](N)CN1CCc2cc(F)c(cc12)C(F)(F)F
Show InChI InChI=1S/C12H14F4N2/c1-7(17)6-18-3-2-8-4-10(13)9(5-11(8)18)12(14,15)16/h4-5,7H,2-3,6,17H2,1H3/t7-/m0/s1
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432n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50179883
PNG
((4-Isopropylphenyl)-(4-isoquinolin-5-yl-phthalazin...)
Show SMILES CC(C)c1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1
Show InChI InChI=1S/C26H22N4/c1-17(2)18-10-12-20(13-11-18)28-26-24-8-4-3-7-23(24)25(29-30-26)22-9-5-6-19-16-27-15-14-21(19)22/h3-17H,1-2H3,(H,28,30)
PDB
MMDB

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n/an/a 17n/an/an/an/an/an/a



ImClone Systems

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by HTRF assay


Bioorg Med Chem Lett 16: 1579-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.045
BindingDB Entry DOI: 10.7270/Q2WS8SVC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50179883
PNG
((4-Isopropylphenyl)-(4-isoquinolin-5-yl-phthalazin...)
Show SMILES CC(C)c1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1
Show InChI InChI=1S/C26H22N4/c1-17(2)18-10-12-20(13-11-18)28-26-24-8-4-3-7-23(24)25(29-30-26)22-9-5-6-19-16-27-15-14-21(19)22/h3-17H,1-2H3,(H,28,30)
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n/an/a 17n/an/an/an/an/an/a



ImClone Systems, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by HTRF method


Bioorg Med Chem 17: 731-40 (2009)


Article DOI: 10.1016/j.bmc.2008.11.049
BindingDB Entry DOI: 10.7270/Q2W95929
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 45n/an/an/an/an/an/a



ImClone Systems, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by HTRF method


Bioorg Med Chem 17: 731-40 (2009)


Article DOI: 10.1016/j.bmc.2008.11.049
BindingDB Entry DOI: 10.7270/Q2W95929
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50179881
PNG
((4-Chlorophenyl)-(4-isoquinolin-5-yl-phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1
Show InChI InChI=1S/C23H15ClN4/c24-16-8-10-17(11-9-16)26-23-21-6-2-1-5-20(21)22(27-28-23)19-7-3-4-15-14-25-13-12-18(15)19/h1-14H,(H,26,28)
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n/an/a 48n/an/an/an/an/an/a



ImClone Systems

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by HTRF assay


Bioorg Med Chem Lett 16: 1579-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.045
BindingDB Entry DOI: 10.7270/Q2WS8SVC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50179881
PNG
((4-Chlorophenyl)-(4-isoquinolin-5-yl-phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1
Show InChI InChI=1S/C23H15ClN4/c24-16-8-10-17(11-9-16)26-23-21-6-2-1-5-20(21)22(27-28-23)19-7-3-4-15-14-25-13-12-18(15)19/h1-14H,(H,26,28)
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n/an/a 48n/an/an/an/an/an/a



ImClone Systems, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by HTRF method


Bioorg Med Chem 17: 731-40 (2009)


Article DOI: 10.1016/j.bmc.2008.11.049
BindingDB Entry DOI: 10.7270/Q2W95929
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Mus musculus)
BDBM50117636
PNG
(CHEMBL3613642)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
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n/an/a 57n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPV4 receptor expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-stimulated calcium flux after 10 mins


Bioorg Med Chem Lett 25: 4011-5 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1THP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50179890
PNG
((4-tert-Butylphenyl)-(4-isoquinolin-5-yl-phthalazi...)
Show SMILES CC(C)(C)c1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1
Show InChI InChI=1S/C27H24N4/c1-27(2,3)19-11-13-20(14-12-19)29-26-24-9-5-4-8-23(24)25(30-31-26)22-10-6-7-18-17-28-16-15-21(18)22/h4-17H,1-3H3,(H,29,31)
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n/an/a 75n/an/an/an/an/an/a



ImClone Systems, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by HTRF method


Bioorg Med Chem 17: 731-40 (2009)


Article DOI: 10.1016/j.bmc.2008.11.049
BindingDB Entry DOI: 10.7270/Q2W95929
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50179890
PNG
((4-tert-Butylphenyl)-(4-isoquinolin-5-yl-phthalazi...)
Show SMILES CC(C)(C)c1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1
Show InChI InChI=1S/C27H24N4/c1-27(2,3)19-11-13-20(14-12-19)29-26-24-9-5-4-8-23(24)25(30-31-26)22-10-6-7-18-17-28-16-15-21(18)22/h4-17H,1-3H3,(H,29,31)
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n/an/a 75n/an/an/an/an/an/a



ImClone Systems

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by HTRF assay


Bioorg Med Chem Lett 16: 1579-81 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.045
BindingDB Entry DOI: 10.7270/Q2WS8SVC
More data for this
Ligand-Target Pair
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