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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'zamorano' and Initial = 'r'   
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
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358788
PNG
(CHEMBL1922756)
Show SMILES FC(F)(F)c1ccc(OCC(=O)c2ccc(Cl)nc2)cc1
Show InChI InChI=1S/C14H9ClF3NO2/c15-13-6-1-9(7-19-13)12(20)8-21-11-4-2-10(3-5-11)14(16,17)18/h1-7H,8H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358787
PNG
(CHEMBL1922750)
Show SMILES Clc1ccc(cn1)C(=O)COc1cccc(Br)c1
Show InChI InChI=1S/C13H9BrClNO2/c14-10-2-1-3-11(6-10)18-8-12(17)9-4-5-13(15)16-7-9/h1-7H,8H2
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n/an/a 7.70E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358780
PNG
(CHEMBL1922760)
Show SMILES Clc1ccc(cn1)C(=O)COc1ccccc1-c1ccccn1
Show InChI InChI=1S/C18H13ClN2O2/c19-18-9-8-13(11-21-18)16(22)12-23-17-7-2-1-5-14(17)15-6-3-4-10-20-15/h1-11H,12H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358785
PNG
(CHEMBL1922728)
Show SMILES Clc1ccc(cn1)C(=O)COc1ccccc1Br
Show InChI InChI=1S/C13H9BrClNO2/c14-10-3-1-2-4-12(10)18-8-11(17)9-5-6-13(15)16-7-9/h1-7H,8H2
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n/an/a 8.20E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using acetaminophen as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358786
PNG
(CHEMBL1922742)
Show SMILES Brc1ccccc1OCC(=O)c1ccc(NCCc2cccnc2)nc1
Show InChI InChI=1S/C20H18BrN3O2/c21-17-5-1-2-6-19(17)26-14-18(25)16-7-8-20(24-13-16)23-11-9-15-4-3-10-22-12-15/h1-8,10,12-13H,9,11,14H2,(H,23,24)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358779
PNG
(CHEMBL1922759)
Show SMILES Clc1ccc(cn1)C(=O)COc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H14ClNO2/c20-19-11-10-15(12-21-19)17(22)13-23-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h1-12H,13H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358782
PNG
(CHEMBL1922768)
Show SMILES Cn1cc(cn1)-c1ccccc1OCC(=O)c1ccc(Cl)nc1
Show InChI InChI=1S/C17H14ClN3O2/c1-21-10-13(9-20-21)14-4-2-3-5-16(14)23-11-15(22)12-6-7-17(18)19-8-12/h2-10H,11H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358781
PNG
(CHEMBL1922765)
Show SMILES Clc1ccc(cn1)C(=O)COc1ccccc1-c1cncnc1
Show InChI InChI=1S/C17H12ClN3O2/c18-17-6-5-12(9-21-17)15(22)10-23-16-4-2-1-3-14(16)13-7-19-11-20-8-13/h1-9,11H,10H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/a 1.76E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50358174
PNG
(CHEMBL1921855)
Show SMILES O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Show InChI InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50358179
PNG
(CHEMBL1921961)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,27-28H,9H2,(H,24,26)/t11-,12+
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM55093
PNG
(N-[3-chloro-4-(1,3-diketo-2-azaspiro[4.5]decan-2-y...)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O
Show InChI InChI=1S/C21H20ClN3O3/c22-15-12-14(24-19(27)16-6-2-5-11-23-16)7-8-17(15)25-18(26)13-21(20(25)28)9-3-1-4-10-21/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,24,27)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50358783
PNG
(CHEMBL1346011)
Show SMILES Oc1ccc(C(=O)COc2ccccc2Br)c(O)c1
Show InChI InChI=1S/C14H11BrO4/c15-11-3-1-2-4-14(11)19-8-13(18)10-6-5-9(16)7-12(10)17/h1-7,16-17H,8H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine receptor 4 expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-in...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50358783
PNG
(CHEMBL1346011)
Show SMILES Oc1ccc(C(=O)COc2ccccc2Br)c(O)c1
Show InChI InChI=1S/C14H11BrO4/c15-11-3-1-2-4-14(11)19-8-13(18)10-6-5-9(16)7-12(10)17/h1-7,16-17H,8H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine receptor 1 expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-in...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50358179
PNG
(CHEMBL1921961)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,27-28H,9H2,(H,24,26)/t11-,12+
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM55093
PNG
(N-[3-chloro-4-(1,3-diketo-2-azaspiro[4.5]decan-2-y...)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O
Show InChI InChI=1S/C21H20ClN3O3/c22-15-12-14(24-19(27)16-6-2-5-11-23-16)7-8-17(15)25-18(26)13-21(20(25)28)9-3-1-4-10-21/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,24,27)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM55094
PNG
(N-[3-chloro-4-(2,5-diketo-3-phenyl-pyrrolidino)phe...)
Show SMILES Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
Show InChI InChI=1S/C22H16ClN3O3/c23-17-12-15(25-21(28)18-8-4-5-11-24-18)9-10-19(17)26-20(27)13-16(22(26)29)14-6-2-1-3-7-14/h1-13,27,29H,(H,25,28)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM55093
PNG
(N-[3-chloro-4-(1,3-diketo-2-azaspiro[4.5]decan-2-y...)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O
Show InChI InChI=1S/C21H20ClN3O3/c22-15-12-14(24-19(27)16-6-2-5-11-23-16)7-8-17(15)25-18(26)13-21(20(25)28)9-3-1-4-10-21/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,24,27)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50358179
PNG
(CHEMBL1921961)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,27-28H,9H2,(H,24,26)/t11-,12+
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50358174
PNG
(CHEMBL1921855)
Show SMILES O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Show InChI InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM55093
PNG
(N-[3-chloro-4-(1,3-diketo-2-azaspiro[4.5]decan-2-y...)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O
Show InChI InChI=1S/C21H20ClN3O3/c22-15-12-14(24-19(27)16-6-2-5-11-23-16)7-8-17(15)25-18(26)13-21(20(25)28)9-3-1-4-10-21/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,24,27)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50358179
PNG
(CHEMBL1921961)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,27-28H,9H2,(H,24,26)/t11-,12+
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50358174
PNG
(CHEMBL1921855)
Show SMILES O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Show InChI InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM55093
PNG
(N-[3-chloro-4-(1,3-diketo-2-azaspiro[4.5]decan-2-y...)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O
Show InChI InChI=1S/C21H20ClN3O3/c22-15-12-14(24-19(27)16-6-2-5-11-23-16)7-8-17(15)25-18(26)13-21(20(25)28)9-3-1-4-10-21/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,24,27)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using acetaminophen as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50358174
PNG
(CHEMBL1921855)
Show SMILES O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Show InChI InChI=1S/C18H13N3O5S2/c22-18(15-5-3-4-12-19-15)20-13-8-10-14(11-9-13)21-27(23,24)16-6-1-2-7-17(16)28(21,25)26/h1-12H,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using acetaminophen as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50358179
PNG
(CHEMBL1921961)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,27-28H,9H2,(H,24,26)/t11-,12+
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using acetaminophen as substrate


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293714
PNG
(CHEMBL551635 | N-(4-fluoro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1F
Show InChI InChI=1S/C13H11FN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293714
PNG
(CHEMBL551635 | N-(4-fluoro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1F
Show InChI InChI=1S/C13H11FN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293715
PNG
(CHEMBL562036 | N-(benzo[d][1,3]dioxol-5-yl)picolin...)
Show SMILES O=C(Nc1ccc2OCOc2c1)c1ccccn1
Show InChI InChI=1S/C13H10N2O3/c16-13(10-3-1-2-6-14-10)15-9-4-5-11-12(7-9)18-8-17-11/h1-7H,8H2,(H,15,16)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293716
PNG
(CHEMBL562232 | N-(3-chloro-4-methoxyphenyl)picolin...)
Show SMILES COc1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-6-5-9(8-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293715
PNG
(CHEMBL562036 | N-(benzo[d][1,3]dioxol-5-yl)picolin...)
Show SMILES O=C(Nc1ccc2OCOc2c1)c1ccccn1
Show InChI InChI=1S/C13H10N2O3/c16-13(10-3-1-2-6-14-10)15-9-4-5-11-12(7-9)18-8-17-11/h1-7H,8H2,(H,15,16)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293717
PNG
(CHEMBL572346 | N-(3,4-dimethoxyphenyl)picolinamide...)
Show SMILES COc1ccc(NC(=O)c2ccccn2)cc1OC
Show InChI InChI=1S/C14H14N2O3/c1-18-12-7-6-10(9-13(12)19-2)16-14(17)11-5-3-4-8-15-11/h3-9H,1-2H3,(H,16,17)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293717
PNG
(CHEMBL572346 | N-(3,4-dimethoxyphenyl)picolinamide...)
Show SMILES COc1ccc(NC(=O)c2ccccn2)cc1OC
Show InChI InChI=1S/C14H14N2O3/c1-18-12-7-6-10(9-13(12)19-2)16-14(17)11-5-3-4-8-15-11/h3-9H,1-2H3,(H,16,17)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293718
PNG
(CHEMBL561835 | N-(3-methoxy-4-methylphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1C
Show InChI InChI=1S/C14H14N2O2/c1-10-6-7-11(9-13(10)18-2)16-14(17)12-5-3-4-8-15-12/h3-9H,1-2H3,(H,16,17)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293719
PNG
(CHEMBL571453 | N-(3-(trifluoromethyl)phenyl)picoli...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H9F3N2O/c14-13(15,16)9-4-3-5-10(8-9)18-12(19)11-6-1-2-7-17-11/h1-8H,(H,18,19)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293720
PNG
(CHEMBL541754 | N-(3-(difluoromethoxy)phenyl)picoli...)
Show SMILES FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18)11-6-1-2-7-16-11/h1-8,13H,(H,17,18)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293720
PNG
(CHEMBL541754 | N-(3-(difluoromethoxy)phenyl)picoli...)
Show SMILES FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18)11-6-1-2-7-16-11/h1-8,13H,(H,17,18)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293722
PNG
(CHEMBL559271 | N-(3-(trifluoromethoxy)phenyl)picol...)
Show SMILES FC(F)(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)20-10-5-3-4-9(8-10)18-12(19)11-6-1-2-7-17-11/h1-8H,(H,18,19)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293719
PNG
(CHEMBL571453 | N-(3-(trifluoromethyl)phenyl)picoli...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H9F3N2O/c14-13(15,16)9-4-3-5-10(8-9)18-12(19)11-6-1-2-7-17-11/h1-8H,(H,18,19)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293722
PNG
(CHEMBL559271 | N-(3-(trifluoromethoxy)phenyl)picol...)
Show SMILES FC(F)(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)20-10-5-3-4-9(8-10)18-12(19)11-6-1-2-7-17-11/h1-8H,(H,18,19)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50293716
PNG
(CHEMBL562232 | N-(3-chloro-4-methoxyphenyl)picolin...)
Show SMILES COc1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-6-5-9(8-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293723
PNG
(CHEMBL551004 | N-(3,4-dichlorophenyl)furan-2-carbo...)
Show SMILES Clc1ccc(NC(=O)c2ccco2)cc1Cl
Show InChI InChI=1S/C11H7Cl2NO2/c12-8-4-3-7(6-9(8)13)14-11(15)10-2-1-5-16-10/h1-6H,(H,14,15)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50293724
PNG
(5-bromo-N-(3,4-dichlorophenyl)furan-2-carboxamide ...)
Show SMILES Clc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl
Show InChI InChI=1S/C11H6BrCl2NO2/c12-10-4-3-9(17-10)11(16)15-6-1-2-7(13)8(14)5-6/h1-5H,(H,15,16)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization


J Med Chem 52: 4115-8 (2009)


Article DOI: 10.1021/jm9005065
BindingDB Entry DOI: 10.7270/Q2RJ4JHT
More data for this
Ligand-Target Pair
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