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Compile Data Set for Download or QSAR

Found 476 hits with Last Name = 'ognyanov' and Initial = 'vi'   
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
Inositol polyphosphate-5-phosphatase A


(Homo sapiens (Human))
BDBM50407003
PNG
(CHEMBL2092837)
Show SMILES OS(=O)(=O)C[C@@H]1CCC(CS(O)(=O)=O)[C@H](CS(O)(=O)=O)C1 |r|
Show InChI InChI=1S/C9H18O9S3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t7-,8?,9+/m1/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane


J Med Chem 36: 3035-8 (1993)


BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A


(Homo sapiens (Human))
BDBM50046068
PNG
(1D-3-deoxy- 1D-myo-Inositol 1,4,5-trisphosphate)
Show SMILES O[C@@H]1CC(OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H](O)C1OP([O-])([O-])=O
Show InChI InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)6(20-23(15,16)17)4(8)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/p-6/t2-,3?,4-,5?,6+/m1/s1
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1.15E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)


BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A


(Homo sapiens (Human))
BDBM50075183
PNG
(1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...)
Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)


BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A


(Homo sapiens (Human))
BDBM50046075
PNG
(1D-2,3,6--trioxy- 1D-myo-Inositol 1,4,5-trisphosph...)
Show SMILES O[C@@H]1C(CCC(OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O)OP([O-])([O-])=O
Show InChI InChI=1S/C6H15O13P3/c7-5-3(17-20(8,9)10)1-2-4(18-21(11,12)13)6(5)19-22(14,15)16/h3-7H,1-2H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)/p-6/t3?,4?,5-,6+/m1/s1
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1.65E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)


BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A


(Homo sapiens (Human))
BDBM50046074
PNG
(1D-2,3,6--trideoxy- 1D-myo-Inositol 1,4,5-trisphos...)
Show SMILES [O-]P([O-])(=O)OC1CCC(OP([O-])([O-])=O)[C@@H](C1)OP([O-])([O-])=O
Show InChI InChI=1S/C6H15O12P3/c7-19(8,9)16-4-1-2-5(17-20(10,11)12)6(3-4)18-21(13,14)15/h4-6H,1-3H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)/p-6/t4?,5?,6-/m1/s1
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8.14E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)


BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A


(Homo sapiens (Human))
BDBM50046070
PNG
((1R,2R,4R)-Cyclohexane-1,2,4-tris (methlyenephosph...)
Show SMILES [O-]P([O-])(=O)OCC1CCC(COP([O-])([O-])=O)[C@H](COP([O-])([O-])=O)C1
Show InChI InChI=1S/C9H21O12P3/c10-22(11,12)19-4-7-1-2-8(5-20-23(13,14)15)9(3-7)6-21-24(16,17)18/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t7?,8?,9-/m0/s1
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1.44E+5n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)


J Med Chem 36: 3035-8 (1993)


BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A


(Homo sapiens (Human))
BDBM50046073
PNG
(Benzene-1,2,4-tris (methylenephosphonate))
Show SMILES [O-]P([O-])(=O)Cc1ccc(CP([O-])([O-])=O)c(CP([O-])([O-])=O)c1
Show InChI InChI=1S/C9H15O9P3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h1-3H,4-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6
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1.48E+5n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)


J Med Chem 36: 3035-8 (1993)


BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A


(Homo sapiens (Human))
BDBM50046072
PNG
((1R,2R,4R)-Cyclohexane-1,2,4-tris (methylenephosph...)
Show SMILES [O-]P([O-])(=O)CC1CCC(CP([O-])([O-])=O)[C@H](CP([O-])([O-])=O)C1
Show InChI InChI=1S/C9H21O9P3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t7?,8?,9-/m0/s1
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5.35E+5n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)


J Med Chem 36: 3035-8 (1993)


BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Inositol polyphosphate-5-phosphatase A


(Homo sapiens (Human))
BDBM50407004
PNG
(CHEMBL2092922)
Show SMILES OS(=O)(=O)C[C@H]1CCC(CS(O)(=O)=O)[C@H](CS(O)(=O)=O)C1 |r|
Show InChI InChI=1S/C9H18O9S3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t7-,8?,9-/m0/s1
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>1.00E+8n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)


J Med Chem 36: 3035-8 (1993)


BindingDB Entry DOI: 10.7270/Q2T72J2R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20531
PNG
(N-{6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}qui...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Nc2ccc3cccnc3c2)ncn1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)15-6-3-14(4-7-15)18-11-19(26-12-25-18)27-16-8-5-13-2-1-9-24-17(13)10-16/h1-12H,(H,25,26,27)
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n/an/a 0.300n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3497-514 (2007)


Article DOI: 10.1021/jm070189q
BindingDB Entry DOI: 10.7270/Q2W957GV
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188657
PNG
((R)-methyl 5-Chloro-6-(3-methyl-4-(6-(trifluoromet...)
Show SMILES COC(=O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(Cl)c1
Show InChI InChI=1S/C26H20ClF6N5O2/c1-12-11-37(23-17(27)5-14(10-34-23)24(39)40-2)3-4-38(12)25-35-20-9-15(26(31,32)33)8-16(22(20)36-25)13-6-18(28)21(30)19(29)7-13/h5-10,12H,3-4,11H2,1-2H3,(H,35,36)/t12-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188657
PNG
((R)-methyl 5-Chloro-6-(3-methyl-4-(6-(trifluoromet...)
Show SMILES COC(=O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(Cl)c1
Show InChI InChI=1S/C26H20ClF6N5O2/c1-12-11-37(23-17(27)5-14(10-34-23)24(39)40-2)3-4-38(12)25-35-20-9-15(26(31,32)33)8-16(22(20)36-25)13-6-18(28)21(30)19(29)7-13/h5-10,12H,3-4,11H2,1-2H3,(H,35,36)/t12-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50241325
PNG
(CHEMBL251348 | N-(4-(2-(1-isobutyl-1,2,3,6-tetrahy...)
Show SMILES CC(C)CN1CCC(=CC1)c1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F |c:7|
Show InChI InChI=1S/C29H28F3N5O2S/c1-17(2)16-37-13-11-20(12-14-37)27-34-22(19-7-9-21(10-8-19)29(30,31)32)15-25(35-27)39-23-5-4-6-24-26(23)36-28(40-24)33-18(3)38/h4-11,15,17H,12-14,16H2,1-3H3,(H,33,36,38)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20464
PNG
((2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyri...)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCCCC1
Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18/h4-12,15H,1-3,13-14H2,(H,28,31)/b11-8+
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n/an/a 0.420n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells


J Med Chem 48: 71-90 (2005)


Article DOI: 10.1021/jm049485i
BindingDB Entry DOI: 10.7270/Q2J67GDG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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n/an/a 0.570n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188711
PNG
((R)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluoromet...)
Show SMILES C[C@@H](O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(Cl)c1
Show InChI InChI=1S/C26H22ClF6N5O/c1-12-11-37(24-18(27)5-15(10-34-24)13(2)39)3-4-38(12)25-35-21-9-16(26(31,32)33)8-17(23(21)36-25)14-6-19(28)22(30)20(29)7-14/h5-10,12-13,39H,3-4,11H2,1-2H3,(H,35,36)/t12-,13-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50225031
PNG
(CHEMBL251565 | tert-butyl 4-(4-(2-acetamidobenzo[d...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(n3)C3=CCN(CC3)C(=O)OC(C)(C)C)-c3ccc(cc3)C(F)(F)F)cccc2s1 |t:16|
Show InChI InChI=1S/C30H28F3N5O4S/c1-17(39)34-27-37-25-22(6-5-7-23(25)43-27)41-24-16-21(18-8-10-20(11-9-18)30(31,32)33)35-26(36-24)19-12-14-38(15-13-19)28(40)42-29(2,3)4/h5-12,16H,13-15H2,1-4H3,(H,34,37,39)
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n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20531
PNG
(N-{6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}qui...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(Nc2ccc3cccnc3c2)ncn1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)15-6-3-14(4-7-15)18-11-19(26-12-25-18)27-16-8-5-13-2-1-9-24-17(13)10-16/h1-12H,(H,25,26,27)
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n/an/a 0.600n/an/an/an/a7.422



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3497-514 (2007)


Article DOI: 10.1021/jm070189q
BindingDB Entry DOI: 10.7270/Q2W957GV
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.620n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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n/an/a 0.640n/an/an/an/a7.422



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188674
PNG
((R)-(6-(3-methyl-4-(6-(trifluoromethyl)-4-(3,4,5-t...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(CO)cc1C(F)(F)F
Show InChI InChI=1S/C26H20F9N5O/c1-12-10-39(23-17(26(33,34)35)4-13(11-41)9-36-23)2-3-40(12)24-37-20-8-15(25(30,31)32)7-16(22(20)38-24)14-5-18(27)21(29)19(28)6-14/h4-9,12,41H,2-3,10-11H2,1H3,(H,37,38)/t12-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.760n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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n/an/a 0.800n/an/an/an/a7.422



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of capsaicin induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188650
PNG
((R,S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluorom...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1Cl)C(O)CO
Show InChI InChI=1S/C26H22ClF6N5O2/c1-12-10-37(24-17(27)4-14(9-34-24)21(40)11-39)2-3-38(12)25-35-20-8-15(26(31,32)33)7-16(23(20)36-25)13-5-18(28)22(30)19(29)6-13/h4-9,12,21,39-40H,2-3,10-11H2,1H3,(H,35,36)/t12-,21?/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188650
PNG
((R,S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluorom...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1Cl)C(O)CO
Show InChI InChI=1S/C26H22ClF6N5O2/c1-12-10-37(24-17(27)4-14(9-34-24)21(40)11-39)2-3-38(12)25-35-20-8-15(26(31,32)33)7-16(23(20)36-25)13-5-18(28)22(30)19(29)6-13/h4-9,12,21,39-40H,2-3,10-11H2,1H3,(H,35,36)/t12-,21?/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188717
PNG
((R)-(5-chloro-6-(4-(4-(dibenzylamino)-6-(trifluoro...)
Show SMILES C[C@@H]1CN(CCN1c1nc2cc(cc(N(Cc3ccccc3)Cc3ccccc3)c2[nH]1)C(F)(F)F)c1ncc(CO)cc1Cl
Show InChI InChI=1S/C33H32ClF3N6O/c1-22-18-41(31-27(34)14-25(21-44)17-38-31)12-13-43(22)32-39-28-15-26(33(35,36)37)16-29(30(28)40-32)42(19-23-8-4-2-5-9-23)20-24-10-6-3-7-11-24/h2-11,14-17,22,44H,12-13,18-21H2,1H3,(H,39,40)/t22-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20464
PNG
((2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyri...)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCCCC1
Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18/h4-12,15H,1-3,13-14H2,(H,28,31)/b11-8+
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of pH-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells


J Med Chem 48: 71-90 (2005)


Article DOI: 10.1021/jm049485i
BindingDB Entry DOI: 10.7270/Q2J67GDG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188682
PNG
((R,S)-1-(6-((R)-3-methyl-4-(6-(trifluoromethyl)-4-...)
Show SMILES CC(O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H22F9N5O/c1-12-11-40(24-18(27(34,35)36)5-15(10-37-24)13(2)42)3-4-41(12)25-38-21-9-16(26(31,32)33)8-17(23(21)39-25)14-6-19(28)22(30)20(29)7-14/h5-10,12-13,42H,3-4,11H2,1-2H3,(H,38,39)/t12-,13?/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188689
PNG
((R)-tert-butyl 2-(4-(3-Chloro-5-(hydroxymethyl)pyr...)
Show SMILES C[C@@H]1CN(CCN1c1nc2cc(cc(NC(=O)OC(C)(C)C)c2[nH]1)C(F)(F)F)c1ncc(CO)cc1Cl
Show InChI InChI=1S/C24H28ClF3N6O3/c1-13-11-33(20-16(25)7-14(12-35)10-29-20)5-6-34(13)21-30-17-8-15(24(26,27)28)9-18(19(17)32-21)31-22(36)37-23(2,3)4/h7-10,13,35H,5-6,11-12H2,1-4H3,(H,30,32)(H,31,36)/t13-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50225032
PNG
(CHEMBL249731 | N-(4-(2-(pyridin-4-yl)-6-(4-(triflu...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(n3)-c3ccncc3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C25H16F3N5O2S/c1-14(34)30-24-33-22-19(3-2-4-20(22)36-24)35-21-13-18(15-5-7-17(8-6-15)25(26,27)28)31-23(32-21)16-9-11-29-12-10-16/h2-13H,1H3,(H,30,33,34)
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n/an/a 1.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50158665
PNG
((E)-3-(4-tert-Butyl-phenyl)-N-quinolin-7-yl-acryla...)
Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)cc1
Show InChI InChI=1S/C22H22N2O/c1-22(2,3)18-10-6-16(7-11-18)8-13-21(25)24-19-12-9-17-5-4-14-23-20(17)15-19/h4-15H,1-3H3,(H,24,25)/b13-8+
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n/an/a 1.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells


J Med Chem 48: 71-90 (2005)


Article DOI: 10.1021/jm049485i
BindingDB Entry DOI: 10.7270/Q2J67GDG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50241322
PNG
(CHEMBL398411 | N-(4-(2-morpholino-6-(4-(trifluorom...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(n3)N3CCOCC3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C24H20F3N5O3S/c1-14(33)28-23-31-21-18(3-2-4-19(21)36-23)35-20-13-17(15-5-7-16(8-6-15)24(25,26)27)29-22(30-20)32-9-11-34-12-10-32/h2-8,13H,9-12H2,1H3,(H,28,31,33)
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n/an/a 1.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20556
PNG
(4-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}ox...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C18H11F3N4OS/c19-18(20,21)11-6-4-10(5-7-11)12-8-15(24-9-23-12)26-13-2-1-3-14-16(13)25-17(22)27-14/h1-9H,(H2,22,25)
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n/an/a 1.20n/an/an/an/a7.422



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188661
PNG
((R)-N-(2-(4-(3-chloro-5-(hydroxymethyl)pyridin-2-y...)
Show SMILES C[C@@H]1CN(CCN1c1nc2cc(cc(NC(=O)C3CCCCC3)c2[nH]1)C(F)(F)F)c1ncc(CO)cc1Cl
Show InChI InChI=1S/C26H30ClF3N6O2/c1-15-13-35(23-19(27)9-16(14-37)12-31-23)7-8-36(15)25-33-21-11-18(26(28,29)30)10-20(22(21)34-25)32-24(38)17-5-3-2-4-6-17/h9-12,15,17,37H,2-8,13-14H2,1H3,(H,32,38)(H,33,34)/t15-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188721
PNG
((R)-2-(4-(3-chloro-5-vinylpyridin-2-yl)-2-methylpi...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(C=C)cc1Cl
Show InChI InChI=1S/C26H20ClF6N5/c1-3-14-6-18(27)24(34-11-14)37-4-5-38(13(2)12-37)25-35-21-10-16(26(31,32)33)9-17(23(21)36-25)15-7-19(28)22(30)20(29)8-15/h3,6-11,13H,1,4-5,12H2,2H3,(H,35,36)/t13-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50158658
PNG
((E)-3-(2-Morpholin-4-yl-6-trifluoromethyl-pyridin-...)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCOCC1
Show InChI InChI=1S/C22H19F3N4O2/c23-22(24,25)19-7-4-16(21(28-19)29-10-12-31-13-11-29)5-8-20(30)27-17-6-3-15-2-1-9-26-18(15)14-17/h1-9,14H,10-13H2,(H,27,30)/b8-5+
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of pH-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells


J Med Chem 48: 71-90 (2005)


Article DOI: 10.1021/jm049485i
BindingDB Entry DOI: 10.7270/Q2J67GDG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188674
PNG
((R)-(6-(3-methyl-4-(6-(trifluoromethyl)-4-(3,4,5-t...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(CO)cc1C(F)(F)F
Show InChI InChI=1S/C26H20F9N5O/c1-12-10-39(23-17(26(33,34)35)4-13(11-41)9-36-23)2-3-40(12)24-37-20-8-15(25(30,31)32)7-16(22(20)38-24)14-5-18(27)21(29)19(28)6-14/h4-9,12,41H,2-3,10-11H2,1H3,(H,37,38)/t12-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50225033
PNG
(CHEMBL249983 | N-(4-(2-methyl-6-(4-(trifluoromethy...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(C)n3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C21H15F3N4O2S/c1-11-25-15(13-6-8-14(9-7-13)21(22,23)24)10-18(26-11)30-16-4-3-5-17-19(16)28-20(31-17)27-12(2)29/h3-10H,1-2H3,(H,27,28,29)
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50225027
PNG
(CHEMBL400571 | N-(4-(2-(1-(pyridin-2-yl)ethylamino...)
Show SMILES CC(Nc1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F)c1ccccn1 |w:1.0|
Show InChI InChI=1S/C27H21F3N6O2S/c1-15(19-6-3-4-13-31-19)32-25-34-20(17-9-11-18(12-10-17)27(28,29)30)14-23(35-25)38-21-7-5-8-22-24(21)36-26(39-22)33-16(2)37/h3-15H,1-2H3,(H,32,34,35)(H,33,36,37)
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n/an/a 1.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of capsaicin induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50225038
PNG
(CHEMBL250185 | N-(4-(2-(piperidin-1-yl)-6-(4-(trif...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(n3)N3CCCCC3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C25H22F3N5O2S/c1-15(34)29-24-32-22-19(6-5-7-20(22)36-24)35-21-14-18(16-8-10-17(11-9-16)25(26,27)28)30-23(31-21)33-12-3-2-4-13-33/h5-11,14H,2-4,12-13H2,1H3,(H,29,32,34)
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n/an/a 1.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188682
PNG
((R,S)-1-(6-((R)-3-methyl-4-(6-(trifluoromethyl)-4-...)
Show SMILES CC(O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H22F9N5O/c1-12-11-40(24-18(27(34,35)36)5-15(10-37-24)13(2)42)3-4-41(12)25-38-21-9-16(26(31,32)33)8-17(23(21)39-25)14-6-19(28)22(30)20(29)7-14/h5-10,12-13,42H,3-4,11H2,1-2H3,(H,38,39)/t12-,13?/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188661
PNG
((R)-N-(2-(4-(3-chloro-5-(hydroxymethyl)pyridin-2-y...)
Show SMILES C[C@@H]1CN(CCN1c1nc2cc(cc(NC(=O)C3CCCCC3)c2[nH]1)C(F)(F)F)c1ncc(CO)cc1Cl
Show InChI InChI=1S/C26H30ClF3N6O2/c1-15-13-35(23-19(27)9-16(14-37)12-31-23)7-8-36(15)25-33-21-11-18(26(28,29)30)10-20(22(21)34-25)32-24(38)17-5-3-2-4-6-17/h9-12,15,17,37H,2-8,13-14H2,1H3,(H,32,38)(H,33,34)/t15-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50225027
PNG
(CHEMBL400571 | N-(4-(2-(1-(pyridin-2-yl)ethylamino...)
Show SMILES CC(Nc1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F)c1ccccn1 |w:1.0|
Show InChI InChI=1S/C27H21F3N6O2S/c1-15(19-6-3-4-13-31-19)32-25-34-20(17-9-11-18(12-10-17)27(28,29)30)14-23(35-25)38-21-7-5-8-22-24(21)36-26(39-22)33-16(2)37/h3-15H,1-2H3,(H,32,34,35)(H,33,36,37)
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n/an/a 1.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
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