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Compile Data Set for Download or QSAR

Found 272 hits with Last Name = 'balan' and Initial = 'c'   
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))
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))
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))
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))
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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
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))
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))
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


(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))
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/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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
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


(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))
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 1n/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))
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))
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


(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))
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))
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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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))
BDBM50188646
PNG
((R)-2-(4-(3-bromopyridin-2-yl)-3-methylpiperazin-1...)
Show SMILES C[C@@H]1CN(CCN1c1ncccc1Br)c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C24H18BrF6N5/c1-12-11-35(5-6-36(12)22-16(25)3-2-4-32-22)23-33-19-10-14(24(29,30)31)9-15(21(19)34-23)13-7-17(26)20(28)18(27)8-13/h2-4,7-10,12H,5-6,11H2,1H3,(H,33,34)/t12-/m1/s1
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n/an/a 1.80n/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))
BDBM20579
PNG
(N-{4-[(6-{4-[(1S)-1-[4-(trifluoromethyl)phenyl]eth...)
Show SMILES CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2S/c1-16(18-6-8-19(9-7-18)26(27,28)29)34-10-12-35(13-11-34)22-14-23(31-15-30-22)37-20-4-3-5-21-24(20)33-25(38-21)32-17(2)36/h3-9,14-16H,10-13H2,1-2H3,(H,32,33,36)
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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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
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 1.90n/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))
BDBM20581
PNG
(N-{4-[(6-{4-[(1R)-1-(4-fluorophenyl)ethyl]piperazi...)
Show SMILES C[C@@H](N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H25FN6O2S/c1-16(18-6-8-19(26)9-7-18)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-4-3-5-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)/t16-/m1/s1
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n/an/a 2n/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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
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 2.10n/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))
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 2.30n/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))
BDBM20561
PNG
(N-[4-({6-[4-(trifluoromethyl)cyclohex-1-en-1-yl]py...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)C3=CCC(CC3)C(F)(F)F)cccc2s1 |t:16|
Show InChI InChI=1S/C20H17F3N4O2S/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/h2-5,9-10,13H,6-8H2,1H3,(H,26,27,28)
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n/an/a 2.40n/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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20577
PNG
(N-{4-[(6-{4-[(1S)-1-(2-fluorophenyl)ethyl]piperazi...)
Show SMILES CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1F
Show InChI InChI=1S/C25H25FN6O2S/c1-16(18-6-3-4-7-19(18)26)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-8-5-9-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)
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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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188668
PNG
((S)-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 2.60n/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))
BDBM50188715
PNG
((R)-2-(4-(3-bromopyridin-2-yl)-2-methylpiperazin-1...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncccc1Br
Show InChI InChI=1S/C24H18BrF6N5/c1-12-11-35(22-16(25)3-2-4-32-22)5-6-36(12)23-33-19-10-14(24(29,30)31)9-15(21(19)34-23)13-7-17(26)20(28)18(27)8-13/h2-4,7-10,12H,5-6,11H2,1H3,(H,33,34)/t12-/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))
BDBM20577
PNG
(N-{4-[(6-{4-[(1S)-1-(2-fluorophenyl)ethyl]piperazi...)
Show SMILES CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1F
Show InChI InChI=1S/C25H25FN6O2S/c1-16(18-6-3-4-7-19(18)26)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-8-5-9-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)
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n/an/a 2.70n/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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188670
PNG
(CHEMBL377323 | S)-(6-((R)-3-methyl-4-(6-(trifluoro...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1C(F)(F)F)C(O)c1ccccc1
Show InChI InChI=1S/C32H24F9N5O/c1-16-15-45(29-22(32(39,40)41)9-19(14-42-29)28(47)17-5-3-2-4-6-17)7-8-46(16)30-43-25-13-20(31(36,37)38)12-21(27(25)44-30)18-10-23(33)26(35)24(34)11-18/h2-6,9-14,16,28,47H,7-8,15H2,1H3,(H,43,44)/t16-,28?/m1/s1
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n/an/a 2.80n/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))
BDBM50188668
PNG
((S)-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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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))
BDBM20568
PNG
(N-[4-({6-[4-(2,2-dimethylpropyl)piperazin-1-yl]pyr...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC(C)(C)C)CC3)cccc2s1
Show InChI InChI=1S/C22H28N6O2S/c1-15(29)25-21-26-20-16(6-5-7-17(20)31-21)30-19-12-18(23-14-24-19)28-10-8-27(9-11-28)13-22(2,3)4/h5-7,12,14H,8-11,13H2,1-4H3,(H,25,26,29)
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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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20583
PNG
(N-{4-[(6-{4-[1-(4-fluorophenyl)ethyl]piperazin-1-y...)
Show SMILES CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN6O2S/c1-16(18-6-8-19(26)9-7-18)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-4-3-5-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)
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n/an/a 3.10n/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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188693
PNG
((R)-2-(4-(5-bromo-3-chloropyridin-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(Br)cc1Cl
Show InChI InChI=1S/C24H17BrClF6N5/c1-11-10-36(22-16(26)8-14(25)9-33-22)2-3-37(11)23-34-19-7-13(24(30,31)32)6-15(21(19)35-23)12-4-17(27)20(29)18(28)5-12/h4-9,11H,2-3,10H2,1H3,(H,34,35)/t11-/m1/s1
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n/an/a 3.30n/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))
BDBM50188693
PNG
((R)-2-(4-(5-bromo-3-chloropyridin-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(Br)cc1Cl
Show InChI InChI=1S/C24H17BrClF6N5/c1-11-10-36(22-16(26)8-14(25)9-33-22)2-3-37(11)23-34-19-7-13(24(30,31)32)6-15(21(19)35-23)12-4-17(27)20(29)18(28)5-12/h4-9,11H,2-3,10H2,1H3,(H,34,35)/t11-/m1/s1
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n/an/a 3.40n/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))
BDBM20581
PNG
(N-{4-[(6-{4-[(1R)-1-(4-fluorophenyl)ethyl]piperazi...)
Show SMILES C[C@@H](N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H25FN6O2S/c1-16(18-6-8-19(26)9-7-18)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-4-3-5-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)/t16-/m1/s1
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n/an/a 3.70n/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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188670
PNG
(CHEMBL377323 | S)-(6-((R)-3-methyl-4-(6-(trifluoro...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1C(F)(F)F)C(O)c1ccccc1
Show InChI InChI=1S/C32H24F9N5O/c1-16-15-45(29-22(32(39,40)41)9-19(14-42-29)28(47)17-5-3-2-4-6-17)7-8-46(16)30-43-25-13-20(31(36,37)38)12-21(27(25)44-30)18-10-23(33)26(35)24(34)11-18/h2-6,9-14,16,28,47H,7-8,15H2,1H3,(H,43,44)/t16-,28?/m1/s1
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n/an/a 3.70n/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))
BDBM50188698
PNG
(4-(4-tert-butylphenyl)-6-(trifluoromethyl)-2-(4-(3...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(cc2[nH]c(nc12)N1CCN(CC1)c1ncccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H27F6N5/c1-26(2,3)18-8-6-17(7-9-18)20-15-19(27(29,30)31)16-22-23(20)37-25(36-22)39-13-11-38(12-14-39)24-21(28(32,33)34)5-4-10-35-24/h4-10,15-16H,11-14H2,1-3H3,(H,36,37)
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n/an/a 4n/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
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM93422
PNG
(PHD Inhibitor, 12{1,1,2})
Show SMILES CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc2n(C)c(=O)c(C(=O)NCC(O)=O)c(O)c2c1 |r|
Show InChI InChI=1S/C38H37N5O8/c1-22(44)41-30(19-24-12-14-26-10-6-7-11-27(26)16-24)36(49)42-29(18-23-8-4-3-5-9-23)35(48)39-20-25-13-15-31-28(17-25)34(47)33(38(51)43(31)2)37(50)40-21-32(45)46/h3-17,29-30,47H,18-21H2,1-2H3,(H,39,48)(H,40,50)(H,41,44)(H,42,49)(H,45,46)/t29-,30-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Amgen, Inc.



Assay Description
PHD1,2,3 activity was measured utilizing homogeneous time-resolved fluroescence energy transfer techology by detecting the trans-4-hydroxylatio of HI...


J Comb Chem 12: 676-86 (2010)


Article DOI: 10.1021/cc100073a
BindingDB Entry DOI: 10.7270/Q2B27SXP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50188646
PNG
((R)-2-(4-(3-bromopyridin-2-yl)-3-methylpiperazin-1...)
Show SMILES C[C@@H]1CN(CCN1c1ncccc1Br)c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C24H18BrF6N5/c1-12-11-35(5-6-36(12)22-16(25)3-2-4-32-22)23-33-19-10-14(24(29,30)31)9-15(21(19)34-23)13-7-17(26)20(28)18(27)8-13/h2-4,7-10,12H,5-6,11H2,1H3,(H,33,34)/t12-/m1/s1
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n/an/a 4.30n/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
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))
BDBM93422
PNG
(PHD Inhibitor, 12{1,1,2})
Show SMILES CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc2n(C)c(=O)c(C(=O)NCC(O)=O)c(O)c2c1 |r|
Show InChI InChI=1S/C38H37N5O8/c1-22(44)41-30(19-24-12-14-26-10-6-7-11-27(26)16-24)36(49)42-29(18-23-8-4-3-5-9-23)35(48)39-20-25-13-15-31-28(17-25)34(47)33(38(51)43(31)2)37(50)40-21-32(45)46/h3-17,29-30,47H,18-21H2,1-2H3,(H,39,48)(H,40,50)(H,41,44)(H,42,49)(H,45,46)/t29-,30-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Amgen, Inc.



Assay Description
PHD1,2,3 activity was measured utilizing homogeneous time-resolved fluroescence energy transfer techology by detecting the trans-4-hydroxylatio of HI...


J Comb Chem 12: 676-86 (2010)


Article DOI: 10.1021/cc100073a
BindingDB Entry DOI: 10.7270/Q2B27SXP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20573
PNG
(N-{4-[(6-{4-[(1S)-1-phenylethyl]piperazin-1-yl}pyr...)
Show SMILES CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1
Show InChI InChI=1S/C25H26N6O2S/c1-17(19-7-4-3-5-8-19)30-11-13-31(14-12-30)22-15-23(27-16-26-22)33-20-9-6-10-21-24(20)29-25(34-21)28-18(2)32/h3-10,15-17H,11-14H2,1-2H3,(H,28,29,32)
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n/an/a 4.80n/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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20583
PNG
(N-{4-[(6-{4-[1-(4-fluorophenyl)ethyl]piperazin-1-y...)
Show SMILES CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN6O2S/c1-16(18-6-8-19(26)9-7-18)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-4-3-5-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)
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n/an/a 4.90n/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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20579
PNG
(N-{4-[(6-{4-[(1S)-1-[4-(trifluoromethyl)phenyl]eth...)
Show SMILES CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2S/c1-16(18-6-8-19(9-7-18)26(27,28)29)34-10-12-35(13-11-34)22-14-23(31-15-30-22)37-20-4-3-5-21-24(20)33-25(38-21)32-17(2)36/h3-9,14-16H,10-13H2,1-2H3,(H,32,33,36)
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n/an/a 5n/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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20568
PNG
(N-[4-({6-[4-(2,2-dimethylpropyl)piperazin-1-yl]pyr...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC(C)(C)C)CC3)cccc2s1
Show InChI InChI=1S/C22H28N6O2S/c1-15(29)25-21-26-20-16(6-5-7-17(20)31-21)30-19-12-18(23-14-24-19)28-10-8-27(9-11-28)13-22(2,3)4/h5-7,12,14H,8-11,13H2,1-4H3,(H,25,26,29)
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n/an/a 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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20582
PNG
(N-{4-[(6-{4-[(1S)-1-(4-fluorophenyl)ethyl]piperazi...)
Show SMILES C[C@H](N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H25FN6O2S/c1-16(18-6-8-19(26)9-7-18)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-4-3-5-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)/t16-/m0/s1
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n/an/a 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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN2


(Homo sapiens (Human))
BDBM93425
PNG
(PHD Inhibitor, 12{4,1,2})
Show SMILES CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC(=O)NCc1ccc2n(C)c(=O)c(C(=O)NCC(O)=O)c(O)c2c1 |r|
Show InChI InChI=1S/C31H31N5O8/c1-17(37)35-23(13-18-7-9-20-5-3-4-6-21(20)11-18)29(42)33-15-25(38)32-14-19-8-10-24-22(12-19)28(41)27(31(44)36(24)2)30(43)34-16-26(39)40/h3-12,23,41H,13-16H2,1-2H3,(H,32,38)(H,33,42)(H,34,43)(H,35,37)(H,39,40)/t23-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Amgen, Inc.



Assay Description
PHD1,2,3 activity was measured utilizing homogeneous time-resolved fluroescence energy transfer techology by detecting the trans-4-hydroxylatio of HI...


J Comb Chem 12: 676-86 (2010)


Article DOI: 10.1021/cc100073a
BindingDB Entry DOI: 10.7270/Q2B27SXP
More data for this
Ligand-Target Pair
Prolyl hydroxylase EGLN3


(Homo sapiens (Human))
BDBM93419
PNG
(PHD Inhibitor, 12{2,4,1})
Show SMILES Cn1c2ccc(CNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cc2c(O)c(C(=O)NCC(O)=O)c1=O |r|
Show InChI InChI=1S/C39H37N5O8/c1-44-31-18-17-26(19-28(31)34(47)33(39(44)52)38(51)41-23-32(45)46)22-40-36(49)29(20-24-11-5-2-6-12-24)43-37(50)30(21-25-13-7-3-8-14-25)42-35(48)27-15-9-4-10-16-27/h2-19,29-30,47H,20-23H2,1H3,(H,40,49)(H,41,51)(H,42,48)(H,43,50)(H,45,46)/t29-,30-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Amgen, Inc.



Assay Description
PHD1,2,3 activity was measured utilizing homogeneous time-resolved fluroescence energy transfer techology by detecting the trans-4-hydroxylatio of HI...


J Comb Chem 12: 676-86 (2010)


Article DOI: 10.1021/cc100073a
BindingDB Entry DOI: 10.7270/Q2B27SXP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20573
PNG
(N-{4-[(6-{4-[(1S)-1-phenylethyl]piperazin-1-yl}pyr...)
Show SMILES CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1
Show InChI InChI=1S/C25H26N6O2S/c1-17(19-7-4-3-5-8-19)30-11-13-31(14-12-30)22-15-23(27-16-26-22)33-20-9-6-10-21-24(20)29-25(34-21)28-18(2)32/h3-10,15-17H,11-14H2,1-2H3,(H,28,29,32)
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n/an/a 6n/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: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
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