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PubMed code 17985859

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226429
PNG
(CHEMBL237354 | [L-arginyl]-N-(2,4-dichlorophenethy...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl4N6O2/c25-17-5-3-15(19(27)12-17)7-10-32-22(35)14-34(11-8-16-4-6-18(26)13-20(16)28)23(36)21(29)2-1-9-33-24(30)31/h3-6,12-13,21H,1-2,7-11,14,29H2,(H,32,35)(H4,30,31,33)/t21-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226436
PNG
(CHEMBL401228 | [L-arginyl]-[N-(2,4-dichloropheneth...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O
Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-13-38(27(41)23(31)5-3-11-35-28(33)34)17-26(40)37(16-25(32)39)12-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226431
PNG
(CHEMBL237138 | [[N-(2,4-dichlorophenethyl)-N-(6-am...)
Show SMILES NCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
Show InChI InChI=1S/C26H34Cl4N4O2/c27-21-7-5-19(23(29)15-21)9-13-33(12-4-2-1-3-11-31)18-26(36)34(17-25(32)35)14-10-20-6-8-22(28)16-24(20)30/h5-8,15-16H,1-4,9-14,17-18,31H2,(H2,32,35)
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n/an/a 400n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226430
PNG
(CHEMBL400008 | [L-arginyl]-[N-[2-(indol-3-yl)ethyl...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-12-37(16-25(32)39)26(40)17-38(27(41)23(31)5-3-11-35-28(33)34)13-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226432
PNG
(CHEMBL430173 | cis-(L-arginyl)amino-N-(2,4-dichlor...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1C[C@H](N(Cc2ccc(Cl)cc2Cl)C1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H33Cl4N7O2/c27-17-5-3-15(20(29)10-17)7-9-34-25(39)23-12-19(36-24(38)22(31)2-1-8-35-26(32)33)14-37(23)13-16-4-6-18(28)11-21(16)30/h3-6,10-11,19,22-23H,1-2,7-9,12-14,31H2,(H,34,39)(H,36,38)(H4,32,33,35)/t19-,22-,23-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226435
PNG
((S)-N-(2,4-dichlorophenethyl)-N-(2-((2,4-dichlorop...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
Show InChI InChI=1S/C26H33Cl4N7O3/c27-18-5-3-16(20(29)12-18)7-10-36(14-23(32)38)24(39)15-37(11-8-17-4-6-19(28)13-21(17)30)25(40)22(31)2-1-9-35-26(33)34/h3-6,12-13,22H,1-2,7-11,14-15,31H2,(H2,32,38)(H4,33,34,35)/t22-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226429
PNG
(CHEMBL237354 | [L-arginyl]-N-(2,4-dichlorophenethy...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H30Cl4N6O2/c25-17-5-3-15(19(27)12-17)7-10-32-22(35)14-34(11-8-16-4-6-18(26)13-20(16)28)23(36)21(29)2-1-9-33-24(30)31/h3-6,12-13,21H,1-2,7-11,14,29H2,(H,32,35)(H4,30,31,33)/t21-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226434
PNG
(CHEMBL392540 | [L-arginyl]-N-[2-(indol-3-yl)ethyl]...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H36N8O2/c29-23(8-5-13-33-28(30)31)27(38)36(15-12-20-17-35-25-10-4-2-7-22(20)25)18-26(37)32-14-11-19-16-34-24-9-3-1-6-21(19)24/h1-4,6-7,9-10,16-17,23,34-35H,5,8,11-15,18,29H2,(H,32,37)(H4,30,31,33)/t23-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50226433
PNG
(CHEMBL395124 | [L-arginyl]-[N-[2-(indol-3-yl)-ethy...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O
Show InChI InChI=1S/C30H39N9O3/c31-24(8-5-13-35-30(33)34)29(42)39(15-12-21-17-37-26-10-4-2-7-23(21)26)19-28(41)38(18-27(32)40)14-11-20-16-36-25-9-3-1-6-22(20)25/h1-4,6-7,9-10,16-17,24,36-37H,5,8,11-15,18-19,31H2,(H2,32,40)(H4,33,34,35)/t24-/m0/s1
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n/an/a 1.33E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226431
PNG
(CHEMBL237138 | [[N-(2,4-dichlorophenethyl)-N-(6-am...)
Show SMILES NCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
Show InChI InChI=1S/C26H34Cl4N4O2/c27-21-7-5-19(23(29)15-21)9-13-33(12-4-2-1-3-11-31)18-26(36)34(17-25(32)35)14-10-20-6-8-22(28)16-24(20)30/h5-8,15-16H,1-4,9-14,17-18,31H2,(H2,32,35)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226432
PNG
(CHEMBL430173 | cis-(L-arginyl)amino-N-(2,4-dichlor...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1C[C@H](N(Cc2ccc(Cl)cc2Cl)C1)C(=O)NCCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H33Cl4N7O2/c27-17-5-3-15(20(29)10-17)7-9-34-25(39)23-12-19(36-24(38)22(31)2-1-8-35-26(32)33)14-37(23)13-16-4-6-18(28)11-21(16)30/h3-6,10-11,19,22-23H,1-2,7-9,12-14,31H2,(H,34,39)(H,36,38)(H4,32,33,35)/t19-,22-,23-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226435
PNG
((S)-N-(2,4-dichlorophenethyl)-N-(2-((2,4-dichlorop...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
Show InChI InChI=1S/C26H33Cl4N7O3/c27-18-5-3-16(20(29)12-18)7-10-36(14-23(32)38)24(39)15-37(11-8-17-4-6-19(28)13-21(17)30)25(40)22(31)2-1-9-35-26(33)34/h3-6,12-13,22H,1-2,7-11,14-15,31H2,(H2,32,38)(H4,33,34,35)/t22-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226430
PNG
(CHEMBL400008 | [L-arginyl]-[N-[2-(indol-3-yl)ethyl...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O
Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-12-37(16-25(32)39)26(40)17-38(27(41)23(31)5-3-11-35-28(33)34)13-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226434
PNG
(CHEMBL392540 | [L-arginyl]-N-[2-(indol-3-yl)ethyl]...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H36N8O2/c29-23(8-5-13-33-28(30)31)27(38)36(15-12-20-17-35-25-10-4-2-7-22(20)25)18-26(37)32-14-11-19-16-34-24-9-3-1-6-21(19)24/h1-4,6-7,9-10,16-17,23,34-35H,5,8,11-15,18,29H2,(H,32,37)(H4,30,31,33)/t23-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226436
PNG
(CHEMBL401228 | [L-arginyl]-[N-(2,4-dichloropheneth...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O
Show InChI InChI=1S/C28H36Cl2N8O3/c29-20-8-7-18(22(30)14-20)9-13-38(27(41)23(31)5-3-11-35-28(33)34)17-26(40)37(16-25(32)39)12-10-19-15-36-24-6-2-1-4-21(19)24/h1-2,4,6-8,14-15,23,36H,3,5,9-13,16-17,31H2,(H2,32,39)(H4,33,34,35)/t23-/m0/s1
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n/an/a 1.66E+5n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1


(Rattus norvegicus (Rat)-RAT)
BDBM50226433
PNG
(CHEMBL395124 | [L-arginyl]-[N-[2-(indol-3-yl)-ethy...)
Show SMILES N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O
Show InChI InChI=1S/C30H39N9O3/c31-24(8-5-13-35-30(33)34)29(42)39(15-12-21-17-37-26-10-4-2-7-23(21)26)19-28(41)38(18-27(32)40)14-11-20-16-36-25-9-3-1-6-22(20)25/h1-4,6-7,9-10,16-17,24,36-37H,5,8,11-15,18-19,31H2,(H2,32,40)(H4,33,34,35)/t24-/m0/s1
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n/an/a 2.07E+5n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes


J Med Chem 50: 6133-43 (2007)


Article DOI: 10.1021/jm070612v
BindingDB Entry DOI: 10.7270/Q2FQ9WC0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%