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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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50226429
PNG
(CHEMBL237354 | [L-arginyl]-N-(2,4-dichlorophenethy...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(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
Transient receptor potential cation channel subfamily V member 1


(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 |wD:1.0,(-7.03,-18.3,;-5.69,-19.07,;-5.69,-20.61,;-7.03,-21.38,;-7.03,-22.92,;-8.36,-23.69,;-8.36,-25.23,;-9.7,-26,;-7.03,-26,;-4.36,-18.31,;-4.36,-16.77,;-3.03,-19.08,;-3.03,-20.62,;-1.69,-21.39,;-1.69,-22.93,;-3.03,-23.69,;-3.03,-25.23,;-1.7,-26,;-1.69,-27.54,;-.36,-25.22,;-.36,-23.68,;.97,-22.91,;-1.69,-18.31,;-.36,-19.08,;-.36,-20.62,;.97,-18.31,;.97,-16.77,;-.36,-16,;-.36,-14.46,;.88,-13.56,;.41,-12.09,;-1.13,-12.09,;-2.16,-10.94,;-3.67,-11.27,;-4.15,-12.74,;-3.11,-13.88,;-1.61,-13.56,;2.31,-19.08,;3.64,-18.31,;4.98,-19.08,;3.64,-16.77,)|
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
Transient receptor potential cation channel subfamily V member 1


(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
Transient receptor potential cation channel subfamily V member 1


(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 |wD:1.0,(27.93,-2.09,;29.26,-2.86,;29.26,-4.4,;27.92,-5.17,;27.92,-6.71,;26.59,-7.48,;26.59,-9.02,;25.26,-9.79,;27.92,-9.79,;30.59,-2.09,;30.59,-.55,;31.93,-2.86,;31.93,-4.4,;33.26,-5.17,;33.26,-6.71,;32.02,-7.62,;32.49,-9.08,;34.03,-9.08,;35.06,-10.22,;36.56,-9.9,;37.04,-8.43,;36.01,-7.3,;34.51,-7.62,;33.26,-2.09,;34.59,-2.86,;34.59,-4.4,;35.93,-2.09,;35.93,-.55,;34.59,.22,;34.6,1.76,;33.26,2.53,;33.26,4.08,;34.59,4.85,;34.59,6.39,;35.93,4.08,;35.93,2.53,;37.27,1.76,;37.26,-2.86,;38.6,-2.09,;39.93,-2.86,;38.6,-.55,)|
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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50226435
PNG
((S)-N-(2,4-dichlorophenethyl)-N-(2-((2,4-dichlorop...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](-[#7])=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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50226432
PNG
(CHEMBL430173 | cis-(L-arginyl)amino-N-(2,4-dichlor...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-c2ccc(Cl)cc2Cl)-[#6]-1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(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
Glutamate receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)		BDBM50226429
PNG
(CHEMBL237354 | [L-arginyl]-N-(2,4-dichlorophenethy...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(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
Transient receptor potential cation channel subfamily V member 1


(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 |wD:1.0,(8.54,-38.39,;9.88,-39.16,;9.88,-40.7,;8.54,-41.47,;8.54,-43.01,;7.21,-43.78,;7.21,-45.32,;5.87,-46.09,;8.54,-46.09,;11.21,-38.39,;11.21,-36.85,;12.54,-39.16,;12.54,-40.7,;13.88,-41.47,;13.88,-43.01,;12.64,-43.92,;13.11,-45.38,;14.65,-45.38,;15.68,-46.52,;17.18,-46.2,;17.65,-44.73,;16.62,-43.6,;15.13,-43.92,;13.88,-38.39,;15.21,-39.16,;15.21,-40.7,;16.55,-38.39,;16.55,-36.85,;15.21,-36.08,;15.21,-34.54,;16.45,-33.64,;15.98,-32.18,;14.44,-32.17,;13.41,-31.03,;11.9,-31.35,;11.42,-32.83,;12.46,-33.96,;13.96,-33.64,)|
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
Transient receptor potential cation channel subfamily V member 1


(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 |wD:1.0,(12.78,-1.15,;14.12,-1.92,;14.12,-3.46,;12.78,-4.23,;12.78,-5.77,;11.45,-6.54,;11.45,-8.08,;10.11,-8.85,;12.78,-8.85,;15.45,-1.15,;15.45,.39,;16.78,-1.92,;16.78,-3.46,;18.12,-4.23,;18.12,-5.77,;16.87,-6.68,;17.35,-8.14,;18.89,-8.14,;19.91,-9.28,;21.42,-8.96,;21.89,-7.49,;20.86,-6.36,;19.37,-6.68,;18.12,-1.15,;19.45,-1.92,;19.45,-3.46,;20.78,-1.15,;20.78,.39,;19.45,1.16,;19.45,2.7,;20.69,3.6,;20.22,5.06,;18.68,5.07,;17.65,6.21,;16.14,5.89,;15.66,4.41,;16.7,3.28,;18.2,3.6,;22.12,-1.92,;23.45,-1.15,;24.79,-1.92,;23.45,.39,)|
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 receptor ionotropic, NMDA 1/2A


(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 receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)		BDBM50226432
PNG
(CHEMBL430173 | cis-(L-arginyl)amino-N-(2,4-dichlor...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-c2ccc(Cl)cc2Cl)-[#6]-1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccc(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 receptor ionotropic, NMDA 1/2A


(Rattus norvegicus (Rat)-RAT)		BDBM50226435
PNG
((S)-N-(2,4-dichlorophenethyl)-N-(2-((2,4-dichlorop...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](=O)-[#7](-[#6]-[#6]-c1ccc(Cl)cc1Cl)-[#6]-[#6](-[#7])=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 receptor ionotropic, NMDA 1/2A


(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 |wD:1.0,(27.93,-2.09,;29.26,-2.86,;29.26,-4.4,;27.92,-5.17,;27.92,-6.71,;26.59,-7.48,;26.59,-9.02,;25.26,-9.79,;27.92,-9.79,;30.59,-2.09,;30.59,-.55,;31.93,-2.86,;31.93,-4.4,;33.26,-5.17,;33.26,-6.71,;32.02,-7.62,;32.49,-9.08,;34.03,-9.08,;35.06,-10.22,;36.56,-9.9,;37.04,-8.43,;36.01,-7.3,;34.51,-7.62,;33.26,-2.09,;34.59,-2.86,;34.59,-4.4,;35.93,-2.09,;35.93,-.55,;34.59,.22,;34.6,1.76,;33.26,2.53,;33.26,4.08,;34.59,4.85,;34.59,6.39,;35.93,4.08,;35.93,2.53,;37.27,1.76,;37.26,-2.86,;38.6,-2.09,;39.93,-2.86,;38.6,-.55,)|
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 receptor ionotropic, NMDA 1/2A


(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 |wD:1.0,(8.54,-38.39,;9.88,-39.16,;9.88,-40.7,;8.54,-41.47,;8.54,-43.01,;7.21,-43.78,;7.21,-45.32,;5.87,-46.09,;8.54,-46.09,;11.21,-38.39,;11.21,-36.85,;12.54,-39.16,;12.54,-40.7,;13.88,-41.47,;13.88,-43.01,;12.64,-43.92,;13.11,-45.38,;14.65,-45.38,;15.68,-46.52,;17.18,-46.2,;17.65,-44.73,;16.62,-43.6,;15.13,-43.92,;13.88,-38.39,;15.21,-39.16,;15.21,-40.7,;16.55,-38.39,;16.55,-36.85,;15.21,-36.08,;15.21,-34.54,;16.45,-33.64,;15.98,-32.18,;14.44,-32.17,;13.41,-31.03,;11.9,-31.35,;11.42,-32.83,;12.46,-33.96,;13.96,-33.64,)|
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 receptor ionotropic, NMDA 1/2A


(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 |wD:1.0,(-7.03,-18.3,;-5.69,-19.07,;-5.69,-20.61,;-7.03,-21.38,;-7.03,-22.92,;-8.36,-23.69,;-8.36,-25.23,;-9.7,-26,;-7.03,-26,;-4.36,-18.31,;-4.36,-16.77,;-3.03,-19.08,;-3.03,-20.62,;-1.69,-21.39,;-1.69,-22.93,;-3.03,-23.69,;-3.03,-25.23,;-1.7,-26,;-1.69,-27.54,;-.36,-25.22,;-.36,-23.68,;.97,-22.91,;-1.69,-18.31,;-.36,-19.08,;-.36,-20.62,;.97,-18.31,;.97,-16.77,;-.36,-16,;-.36,-14.46,;.88,-13.56,;.41,-12.09,;-1.13,-12.09,;-2.16,-10.94,;-3.67,-11.27,;-4.15,-12.74,;-3.11,-13.88,;-1.61,-13.56,;2.31,-19.08,;3.64,-18.31,;4.98,-19.08,;3.64,-16.77,)|
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 receptor ionotropic, NMDA 1/2A


(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 |wD:1.0,(12.78,-1.15,;14.12,-1.92,;14.12,-3.46,;12.78,-4.23,;12.78,-5.77,;11.45,-6.54,;11.45,-8.08,;10.11,-8.85,;12.78,-8.85,;15.45,-1.15,;15.45,.39,;16.78,-1.92,;16.78,-3.46,;18.12,-4.23,;18.12,-5.77,;16.87,-6.68,;17.35,-8.14,;18.89,-8.14,;19.91,-9.28,;21.42,-8.96,;21.89,-7.49,;20.86,-6.36,;19.37,-6.68,;18.12,-1.15,;19.45,-1.92,;19.45,-3.46,;20.78,-1.15,;20.78,.39,;19.45,1.16,;19.45,2.7,;20.69,3.6,;20.22,5.06,;18.68,5.07,;17.65,6.21,;16.14,5.89,;15.66,4.41,;16.7,3.28,;18.2,3.6,;22.12,-1.92,;23.45,-1.15,;24.79,-1.92,;23.45,.39,)|
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%