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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'smart' and Initial = 'd'   
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
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218750
PNG
(CHEMBL299498)
Show SMILES Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218751
PNG
(CHEMBL300835)
Show SMILES Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50219319
PNG
(CHEMBL438925)
PDB

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13n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2988955
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218748
PNG
(CHEMBL301209)
Show SMILES CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218752
PNG
(CHEMBL56557)
Show SMILES COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218750
PNG
(CHEMBL299498)
Show SMILES Cn1ccc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218749
PNG
(CHEMBL54062)
Show SMILES CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218745
PNG
(CHEMBL57135)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218749
PNG
(CHEMBL54062)
Show SMILES CSc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218748
PNG
(CHEMBL301209)
Show SMILES CN1CCc2cc(NC(=O)Nc3ccnc4ccccc34)ccc12
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218745
PNG
(CHEMBL57135)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218752
PNG
(CHEMBL56557)
Show SMILES COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1Cl
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218751
PNG
(CHEMBL300835)
Show SMILES Cc1cc2cc(NC(=O)Nc3ccnc4ccccc34)ccc2n1C
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218747
PNG
(CHEMBL417753)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218747
PNG
(CHEMBL417753)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccnc3ccccc23)cc1
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50445184
PNG
(CHEMBL412459)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C91H148N28O24/c1-17-48(12)73(89(142)117-63(31-47(10)11)88(141)119-74(52(16)120)90(143)110-59(75(94)128)27-43(2)3)118-71(125)40-101-77(130)50(14)106-78(131)51(15)107-82(135)66(34-55-37-98-42-104-55)116-87(140)67(35-68(93)122)108-70(124)39-100-76(129)49(13)105-69(123)38-102-80(133)65(33-54-36-97-41-103-54)115-85(138)62(30-46(8)9)113-84(137)61(29-45(6)7)112-81(134)58(24-25-72(126)127)109-86(139)64(32-53-20-22-56(121)23-21-53)114-83(136)60(28-44(4)5)111-79(132)57(92)19-18-26-99-91(95)96/h20-23,36-37,41-52,57-67,73-74,120-121H,17-19,24-35,38-40,92H2,1-16H3,(H2,93,122)(H2,94,128)(H,97,103)(H,98,104)(H,100,129)(H,101,130)(H,102,133)(H,105,123)(H,106,131)(H,107,135)(H,108,124)(H,109,139)(H,110,143)(H,111,132)(H,112,134)(H,113,137)(H,114,136)(H,115,138)(H,116,140)(H,117,142)(H,118,125)(H,119,141)(H,126,127)(H4,95,96,99)/t48-,49-,50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-/m0/s1
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269n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2988955
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50218746
PNG
(CHEMBL59266)
Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50218746
PNG
(CHEMBL59266)
Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4ccccc34)cc2o1
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50384416
PNG
(CHEMBL2111553 | CHEMBL291536 | SB-334867)
Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
Show InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
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3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50384416
PNG
(CHEMBL2111553 | CHEMBL291536 | SB-334867)
Show SMILES Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
Show InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
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<5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1907-10 (2001)


BindingDB Entry DOI: 10.7270/Q2G16318
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50219318
PNG
(CHEMBL262404)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O
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6.61E+4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL




Bioorg Med Chem Lett 11: 737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2988955
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20469
PNG
(3-{2-[ethyl(3-methylphenyl)amino]ethyl}-1-phenylur...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1)c1cccc(C)c1
Show InChI InChI=1S/C18H23N3O/c1-3-21(17-11-7-8-15(2)14-17)13-12-19-18(22)20-16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3,(H2,19,20,22)
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n/an/an/an/a 63n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20470
PNG
(3-{2-[ethyl(3-methylphenyl)amino]ethyl}-1-(2-methy...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1C)c1cccc(C)c1
Show InChI InChI=1S/C19H25N3O/c1-4-22(17-10-7-8-15(2)14-17)13-12-20-19(23)21-18-11-6-5-9-16(18)3/h5-11,14H,4,12-13H2,1-3H3,(H2,20,21,23)
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n/an/an/an/a 126n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20471
PNG
(3-{2-[ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluor...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1F)c1cccc(C)c1
Show InChI InChI=1S/C18H22FN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
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n/an/an/an/a 158n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20472
PNG
(1-(2-chlorophenyl)-3-{2-[ethyl(3-methylphenyl)amin...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Cl)c1cccc(C)c1
Show InChI InChI=1S/C18H22ClN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
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n/an/an/an/a 20n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20468
PNG
(3-(2-bromophenyl)-1-{2-[ethyl(3-methylphenyl)amino...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
Show InChI InChI=1S/C18H22BrN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
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n/an/an/an/a 16n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20473
PNG
(1-(3-bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino...)
Show SMILES CCN(CCNC(=O)Nc1cccc(Br)c1)c1cccc(C)c1
Show InChI InChI=1S/C18H22BrN3O/c1-3-22(17-9-4-6-14(2)12-17)11-10-20-18(23)21-16-8-5-7-15(19)13-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,20,21,23)
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n/an/an/an/a 40n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20474
PNG
(1-(4-bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino...)
Show SMILES CCN(CCNC(=O)Nc1ccc(Br)cc1)c1cccc(C)c1
Show InChI InChI=1S/C18H22BrN3O/c1-3-22(17-6-4-5-14(2)13-17)12-11-20-18(23)21-16-9-7-15(19)8-10-16/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
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n/an/an/an/a 63n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20475
PNG
(3-{2-[ethyl(3-methylphenyl)amino]ethyl}-1-naphthal...)
Show SMILES CCN(CCNC(=O)Nc1cccc2ccccc12)c1cccc(C)c1
Show InChI InChI=1S/C22H25N3O/c1-3-25(19-11-6-8-17(2)16-19)15-14-23-22(26)24-21-13-7-10-18-9-4-5-12-20(18)21/h4-13,16H,3,14-15H2,1-2H3,(H2,23,24,26)
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n/an/an/an/a 79n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20476
PNG
(1-(2,3-dichlorophenyl)-3-{2-[ethyl(3-methylphenyl)...)
Show SMILES CCN(CCNC(=O)Nc1cccc(Cl)c1Cl)c1cccc(C)c1
Show InChI InChI=1S/C18H21Cl2N3O/c1-3-23(14-7-4-6-13(2)12-14)11-10-21-18(24)22-16-9-5-8-15(19)17(16)20/h4-9,12H,3,10-11H2,1-2H3,(H2,21,22,24)
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n/an/an/an/a 20n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20477
PNG
(1-(2,5-dichlorophenyl)-3-{2-[ethyl(3-methylphenyl)...)
Show SMILES CCN(CCNC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(C)c1
Show InChI InChI=1S/C18H21Cl2N3O/c1-3-23(15-6-4-5-13(2)11-15)10-9-21-18(24)22-17-12-14(19)7-8-16(17)20/h4-8,11-12H,3,9-10H2,1-2H3,(H2,21,22,24)
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n/an/an/an/a 25n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20478
PNG
(1-(2-bromophenyl)-3-{2-[(3-methylphenyl)amino]ethy...)
Show SMILES Cc1cccc(NCCNC(=O)Nc2ccccc2Br)c1
Show InChI InChI=1S/C16H18BrN3O/c1-12-5-4-6-13(11-12)18-9-10-19-16(21)20-15-8-3-2-7-14(15)17/h2-8,11,18H,9-10H2,1H3,(H2,19,20,21)
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n/an/an/an/a>158n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20479
PNG
(1-(2-bromophenyl)-3-{2-[methyl(3-methylphenyl)amin...)
Show SMILES CN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
Show InChI InChI=1S/C17H20BrN3O/c1-13-6-5-7-14(12-13)21(2)11-10-19-17(22)20-16-9-4-3-8-15(16)18/h3-9,12H,10-11H2,1-2H3,(H2,19,20,22)
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n/an/an/an/a 40n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20480
PNG
(1-{2-[benzyl(3-methylphenyl)amino]ethyl}-3-(2-brom...)
Show SMILES Cc1cccc(c1)N(CCNC(=O)Nc1ccccc1Br)Cc1ccccc1
Show InChI InChI=1S/C23H24BrN3O/c1-18-8-7-11-20(16-18)27(17-19-9-3-2-4-10-19)15-14-25-23(28)26-22-13-6-5-12-21(22)24/h2-13,16H,14-15,17H2,1H3,(H2,25,26,28)
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n/an/an/an/a>200n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20481
PNG
(N-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-(3-...)
Show SMILES CC(=O)N(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
Show InChI InChI=1S/C18H20BrN3O2/c1-13-6-5-7-15(12-13)22(14(2)23)11-10-20-18(24)21-17-9-4-3-8-16(17)19/h3-9,12H,10-11H2,1-2H3,(H2,20,21,24)
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n/an/an/an/a>251n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20482
PNG
(1-(2-bromophenyl)-3-{2-[ethyl(phenyl)amino]ethyl}u...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1
Show InChI InChI=1S/C17H20BrN3O/c1-2-21(14-8-4-3-5-9-14)13-12-19-17(22)20-16-11-7-6-10-15(16)18/h3-11H,2,12-13H2,1H3,(H2,19,20,22)
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n/an/an/an/a 63n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20483
PNG
(1-(2-bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1C
Show InChI InChI=1S/C18H22BrN3O/c1-3-22(17-11-7-4-8-14(17)2)13-12-20-18(23)21-16-10-6-5-9-15(16)19/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
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n/an/an/an/a 126n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20484
PNG
(1-(2-bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(C)cc1
Show InChI InChI=1S/C18H22BrN3O/c1-3-22(15-10-8-14(2)9-11-15)13-12-20-18(23)21-17-7-5-4-6-16(17)19/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
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n/an/an/an/a 8n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20485
PNG
(1-(2-bromophenyl)-3-{2-[ethyl(3-fluorophenyl)amino...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(F)c1
Show InChI InChI=1S/C17H19BrFN3O/c1-2-22(14-7-5-6-13(19)12-14)11-10-20-17(23)21-16-9-4-3-8-15(16)18/h3-9,12H,2,10-11H2,1H3,(H2,20,21,23)
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n/an/an/an/a 25n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20486
PNG
(1-(2-bromophenyl)-3-{2-[(3,4-difluorophenyl)(ethyl...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H18BrF2N3O/c1-2-23(12-7-8-14(19)15(20)11-12)10-9-21-17(24)22-16-6-4-3-5-13(16)18/h3-8,11H,2,9-10H2,1H3,(H2,21,22,24)
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n/an/an/an/a 16n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20487
PNG
(1-(2-bromophenyl)-3-{2-[ethyl(3-fluoro-4-methylphe...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(C)c(F)c1
Show InChI InChI=1S/C18H21BrFN3O/c1-3-23(14-9-8-13(2)16(20)12-14)11-10-21-18(24)22-17-7-5-4-6-15(17)19/h4-9,12H,3,10-11H2,1-2H3,(H2,21,22,24)
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n/an/an/an/a 6n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20488
PNG
((2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-...)
Show SMILES COc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
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n/an/an/an/a 20n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20284
PNG
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)
Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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n/an/an/an/a 32n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20489
PNG
(1-(2-bromophenyl)-3-{2-[ethyl(methyl)(3-methylphen...)
Show SMILES CC[N+](C)(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
Show InChI InChI=1S/C19H24BrN3O/c1-4-23(3,16-9-7-8-15(2)14-16)13-12-21-19(24)22-18-11-6-5-10-17(18)20/h5-11,14H,4,12-13H2,1-3H3,(H-,21,22,24)/p+1
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n/an/an/an/a 100n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20490
PNG
(1-(2-bromophenyl)-3-[2-(2,3-dihydro-1H-indol-1-yl)...)
Show SMILES Brc1ccccc1NC(=O)NCCN1CCc2ccccc12
Show InChI InChI=1S/C17H18BrN3O/c18-14-6-2-3-7-15(14)20-17(22)19-10-12-21-11-9-13-5-1-4-8-16(13)21/h1-8H,9-12H2,(H2,19,20,22)
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n/an/an/an/a 158n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20491
PNG
(1-(2-bromophenyl)-3-[2-(4-methyl-2,3-dihydro-1H-in...)
Show SMILES Cc1cccc2N(CCNC(=O)Nc3ccccc3Br)CCc12
Show InChI InChI=1S/C18H20BrN3O/c1-13-5-4-8-17-14(13)9-11-22(17)12-10-20-18(23)21-16-7-3-2-6-15(16)19/h2-8H,9-12H2,1H3,(H2,20,21,23)
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n/an/an/an/a 40n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20492
PNG
(1-(2-bromophenyl)-3-[2-(5-methyl-2,3-dihydro-1H-in...)
Show SMILES Cc1ccc2N(CCNC(=O)Nc3ccccc3Br)CCc2c1
Show InChI InChI=1S/C18H20BrN3O/c1-13-6-7-17-14(12-13)8-10-22(17)11-9-20-18(23)21-16-5-3-2-4-15(16)19/h2-7,12H,8-11H2,1H3,(H2,20,21,23)
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n/an/an/an/a 50n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20493
PNG
(1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydro-1H-in...)
Show SMILES Fc1cccc2N(CCNC(=O)Nc3ccccc3Br)CCc12
Show InChI InChI=1S/C17H17BrFN3O/c18-13-4-1-2-6-15(13)21-17(23)20-9-11-22-10-8-12-14(19)5-3-7-16(12)22/h1-7H,8-11H2,(H2,20,21,23)
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n/an/an/an/a 40n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20494
PNG
(1-(2-bromophenyl)-3-[2-(5-fluoro-2,3-dihydro-1H-in...)
Show SMILES Fc1ccc2N(CCNC(=O)Nc3ccccc3Br)CCc2c1
Show InChI InChI=1S/C17H17BrFN3O/c18-14-3-1-2-4-15(14)21-17(23)20-8-10-22-9-7-12-11-13(19)5-6-16(12)22/h1-6,11H,7-10H2,(H2,20,21,23)
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n/an/an/an/a 79n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20495
PNG
(3-(2-bromophenyl)-1-[2-(6-methyl-1,2,3,4-tetrahydr...)
Show SMILES Cc1ccc2N(CCNC(=O)Nc3ccccc3Br)CCCc2c1
Show InChI InChI=1S/C19H22BrN3O/c1-14-8-9-18-15(13-14)5-4-11-23(18)12-10-21-19(24)22-17-7-3-2-6-16(17)20/h2-3,6-9,13H,4-5,10-12H2,1H3,(H2,21,22,24)
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n/an/an/an/a 40n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
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