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Compile Data Set for Download or QSAR

Found 1340 hits with Last Name = 'morrison' and Initial = 'rd'   
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 5


(Homo sapiens (Human))
BDBM50442525
PNG
(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
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6.80n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor allosteric binding site (unknown origin)


Bioorg Med Chem Lett 23: 5779-85 (2013)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50047700
PNG
(CHEMBL3314850)
Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)
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37n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGlu5 expressed in HEK293A cells after 1 hr by scintillation counting method


Bioorg Med Chem Lett 24: 3307-14 (2014)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50447893
PNG
(CHEMBL3114792)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C23H28Cl2N2O3S/c1-3-15-31(29,30)27-13-11-23(12-14-27,18-7-5-4-6-8-18)17(2)26-22(28)20-10-9-19(24)16-21(20)25/h4-10,16-17H,3,11-15H2,1-2H3,(H,26,28)/t17-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50447910
PNG
(CHEMBL3114969)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccc(Cl)cc1Cl)CC1CC1
Show InChI InChI=1S/C21H24Cl2N4O3S/c1-26-10-19(25-12-26)31(29,30)27-8-16-17(9-27)21(16,7-13-2-3-13)11-24-20(28)15-5-4-14(22)6-18(15)23/h4-6,10,12-13,16-17H,2-3,7-9,11H2,1H3,(H,24,28)/t16-,17+,21-
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n/an/a 4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50447890
PNG
(CHEMBL3114971)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1
Show InChI InChI=1S/C22H25F3N4O3S/c1-28-11-19(27-13-28)33(31,32)29-9-17-18(10-29)21(17,8-14-6-7-14)12-26-20(30)15-4-2-3-5-16(15)22(23,24)25/h2-5,11,13-14,17-18H,6-10,12H2,1H3,(H,26,30)/t17-,18+,21-
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n/an/a 5.10n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)

More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50326960
PNG
((S)-N-(1-(1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspi...)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H29FN4O2/c1-19(30-25(33)22-10-9-20-5-2-3-6-21(20)15-22)17-31-13-11-27(12-14-31)26(34)29-18-32(27)24-8-4-7-23(28)16-24/h2-10,15-16,19H,11-14,17-18H2,1H3,(H,29,34)(H,30,33)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD1 in human calu1 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50258182
PNG
((S)-N-(1-(4-(5-Chloro-2-oxo-2,3-dihydro-1H-benzo[d...)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H27ClN4O2/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD1 in human calu1 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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n/an/a 17.8n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50447907
PNG
(CHEMBL3114788)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1Cl)CC1CC1
Show InChI InChI=1S/C21H25ClN4O3S/c1-25-11-19(24-13-25)30(28,29)26-9-16-17(10-26)21(16,8-14-6-7-14)12-23-20(27)15-4-2-3-5-18(15)22/h2-5,11,13-14,16-17H,6-10,12H2,1H3,(H,23,27)/t16-,17+,21-
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n/an/a 19n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)

More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87120
PNG
(CHEMBL1254577 | N-[2-[1-(3-fluorophenyl)-4-keto-1,...)
Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-18-29-25(33)26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)
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n/an/a 20n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87177
PNG
(5-fluoranyl-N-[2-[1-(3-fluorophenyl)-4-oxidanylide...)
Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1
Show InChI InChI=1S/C24H25F2N5O2/c25-17-2-1-3-19(14-17)31-15-28-23(33)24(31)6-9-30(10-7-24)11-8-27-22(32)21-13-16-12-18(26)4-5-20(16)29-21/h1-5,12-14,29H,6-11,15H2,(H,27,32)(H,28,33)
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n/an/a 25n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50278141
PNG
((S)-N-(1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec...)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30N4O2/c1-20(29-25(32)23-12-11-21-7-5-6-8-22(21)17-23)18-30-15-13-27(14-16-30)26(33)28-19-31(27)24-9-3-2-4-10-24/h2-12,17,20H,13-16,18-19H2,1H3,(H,28,33)(H,29,32)/t20-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of PLD1 in human calu1 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50391745
PNG
(CHEMBL472757)
Show SMILES CCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
Show InChI InChI=1S/C19H26Cl2N2O3S/c1-2-27(25,26)23-9-7-19(8-10-23,12-14-3-4-14)13-22-18(24)16-6-5-15(20)11-17(16)21/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,22,24)
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n/an/a 26n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50442525
PNG
(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
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n/an/a 26n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of mGluR5 (unknown origin)


Drug Metab Dispos 40: 1834-45 (2012)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50160568
PNG
(CHEMBL3786530)
Show SMILES OCCSc1nc2CCCCc2c(NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C19H23N3OS/c23-9-10-24-19-21-17-8-4-3-7-16(17)18(22-19)20-15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15,23H,3-4,7-12H2,(H,20,21,22)
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n/an/a 28n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation activity at recombinant human mGluR1a expressed in CHO cells assessed as inhibition of L-glutamate-induced intracellul...


Citation and Details
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50447909
PNG
(CHEMBL3114970)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1c(Cl)cccc1Cl)CC1CC1
Show InChI InChI=1S/C21H24Cl2N4O3S/c1-26-10-18(25-12-26)31(29,30)27-8-14-15(9-27)21(14,7-13-5-6-13)11-24-20(28)19-16(22)3-2-4-17(19)23/h2-4,10,12-15H,5-9,11H2,1H3,(H,24,28)/t14-,15+,21-
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n/an/a 28n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395965
PNG
(CHEMBL2164910)
Show SMILES CN1CCN(CC1)C(=O)C(F)(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)

More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87166
PNG
(5-fluoranyl-N-[2-[1-(4-fluorophenyl)-4-oxidanylide...)
Show SMILES Fc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1
Show InChI InChI=1S/C24H25F2N5O2/c25-17-1-4-19(5-2-17)31-15-28-23(33)24(31)7-10-30(11-8-24)12-9-27-22(32)21-14-16-13-18(26)3-6-20(16)29-21/h1-6,13-14,29H,7-12,15H2,(H,27,32)(H,28,33)
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n/an/a 30n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50447904
PNG
(CHEMBL3114791)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccc(Cl)cc1)CC1CC1
Show InChI InChI=1S/C21H25ClN4O3S/c1-25-11-19(24-13-25)30(28,29)26-9-17-18(10-26)21(17,8-14-2-3-14)12-23-20(27)15-4-6-16(22)7-5-15/h4-7,11,13-14,17-18H,2-3,8-10,12H2,1H3,(H,23,27)/t17-,18+,21-
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n/an/a 32n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50396000
PNG
(CHEMBL2164906)
Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/t19-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395973
PNG
(CHEMBL2164895)
Show SMILES CCN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-23-14-9-15-24(17-16-23)22(25)21(20-12-7-4-8-13-20)18-19-10-5-3-6-11-19/h3-8,10-13,21H,2,9,14-18H2,1H3
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n/an/a 37.1n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395973
PNG
(CHEMBL2164895)
Show SMILES CCN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-23-14-9-15-24(17-16-23)22(25)21(20-12-7-4-8-13-20)18-19-10-5-3-6-11-19/h3-8,10-13,21H,2,9,14-18H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)

More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87164
PNG
(CHEMBL1253820 | N-[2-[1-(4-fluorophenyl)-4-keto-1,...)
Show SMILES Fc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C25H26FN5O2/c26-20-5-7-21(8-6-20)31-17-29-24(33)25(31)9-12-30(13-10-25)14-11-27-23(32)19-15-18-3-1-2-4-22(18)28-16-19/h1-8,15-16H,9-14,17H2,(H,27,32)(H,29,33)
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n/an/a 40n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395983
PNG
(CHEMBL2164911)
Show SMILES CN1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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n/an/a 43.6n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395983
PNG
(CHEMBL2164911)
Show SMILES CN1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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n/an/a 44n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50442525
PNG
(CHEMBL2440659 | US8796295, Table 2: Compound: 1)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
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n/an/a 49n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Allosteric modulation of human mGlu5 receptor expressed in HEK cells assessed as effect on glutamate-induced calcium mobilization


Bioorg Med Chem Lett 23: 5779-85 (2013)

More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87142
PNG
(CHEMBL1254081 | N-[2-[1-(4-chlorophenyl)-4-keto-1,...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClFN5O2/c25-17-1-4-19(5-2-17)31-15-28-23(33)24(31)7-10-30(11-8-24)12-9-27-22(32)21-14-16-13-18(26)3-6-20(16)29-21/h1-6,13-14,29H,7-12,15H2,(H,27,32)(H,28,33)
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n/an/a 50n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM50326960
PNG
((S)-N-(1-(1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspi...)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H29FN4O2/c1-19(30-25(33)22-10-9-20-5-2-3-6-21(20)15-22)17-31-13-11-27(12-14-31)26(34)29-18-32(27)24-8-4-7-23(28)16-24/h2-10,15-16,19H,11-14,17-18H2,1H3,(H,29,34)(H,30,33)/t19-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens)
BDBM50387290
PNG
(CHEMBL2048855)
Show SMILES Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3
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n/an/a 61n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence ...


Bioorg Med Chem Lett 22: 4532-5 (2012)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50047700
PNG
(CHEMBL3314850)
Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)
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n/an/a 62n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at rat mGlu5 expressed in HEK293A cells assessed as reduction in glutamate-induced calcium mobilization


Bioorg Med Chem Lett 24: 3307-14 (2014)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50047700
PNG
(CHEMBL3314850)
Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)
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n/an/a 63n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at rat mGlu5 expressed in HEK293A cells assessed as reduction in glutamate-induced calcium mobilization


Bioorg Med Chem Lett 24: 3307-14 (2014)

More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87184
PNG
(CHEMBL1254653 | N-[2-[1-(3-fluorophenyl)-4-keto-1,...)
Show SMILES Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C25H26FN5O2/c26-20-5-3-6-21(15-20)31-17-29-24(33)25(31)8-11-30(12-9-25)13-10-27-23(32)19-14-18-4-1-2-7-22(18)28-16-19/h1-7,14-16H,8-13,17H2,(H,27,32)(H,29,33)
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n/an/a 63n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50447908
PNG
(CHEMBL3114972)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1cccc(c1)C(F)(F)F)CC1CC1
Show InChI InChI=1S/C22H25F3N4O3S/c1-28-11-19(27-13-28)33(31,32)29-9-17-18(10-29)21(17,8-14-5-6-14)12-26-20(30)15-3-2-4-16(7-15)22(23,24)25/h2-4,7,11,13-14,17-18H,5-6,8-10,12H2,1H3,(H,26,30)/t17-,18+,21-
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n/an/a 64n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50017610
PNG
(CHEMBL3288662)
Show SMILES Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cccnc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15FN4O/c1-26-21-12-19(14-4-7-17(23)8-5-14)25-27(21)20-11-15(6-9-18(20)22(26)28)16-3-2-10-24-13-16/h2-13H,1H3
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n/an/a 67n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat mGlu3 receptor transfected in HEK293 cells coexpressing mouse Galpha15 assessed as decrease in glutamate-induced calcium signaling ...


Bioorg Med Chem Lett 24: 2693-8 (2014)

More data for this
Ligand-Target Pair
metabotropic glutamate 1/2


(RAT)
BDBM50160418
PNG
(CHEMBL3787247)
Show SMILES CC1(C)CCC(CC1)Nc1ncnc2c1nn1ccccc21
Show InChI InChI=1S/C17H21N5/c1-17(2)8-6-12(7-9-17)20-16-15-14(18-11-19-16)13-5-3-4-10-22(13)21-15/h3-5,10-12H,6-9H2,1-2H3,(H,18,19,20)
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n/an/a 69n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mo...


Citation and Details
More data for this
Ligand-Target Pair
metabotropic glutamate 1/2


(RAT)
BDBM50160418
PNG
(CHEMBL3787247)
Show SMILES CC1(C)CCC(CC1)Nc1ncnc2c1nn1ccccc21
Show InChI InChI=1S/C17H21N5/c1-17(2)8-6-12(7-9-17)20-16-15-14(18-11-19-16)13-5-3-4-10-22(13)21-15/h3-5,10-12H,6-9H2,1-2H3,(H,18,19,20)
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n/an/a 69n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mo...


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87147
PNG
(CHEMBL1254823 | N-[2-[1-(3-chlorophenyl)-4-keto-1,...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClFN4O2/c23-17-2-1-3-19(14-17)28-15-26-21(30)22(28)8-11-27(12-9-22)13-10-25-20(29)16-4-6-18(24)7-5-16/h1-7,14H,8-13,15H2,(H,25,29)(H,26,30)
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n/an/a 70n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87160
PNG
(CHEMBL1254996 | N-[2-[1-(3,4-difluorophenyl)-4-ket...)
Show SMILES Fc1ccc(cc1F)N1CNC(=O)C11CCN(CCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C25H25F2N5O2/c26-20-6-5-19(14-21(20)27)32-16-30-24(34)25(32)7-10-31(11-8-25)12-9-28-23(33)18-13-17-3-1-2-4-22(17)29-15-18/h1-6,13-15H,7-12,16H2,(H,28,33)(H,30,34)
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n/an/a 70n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87148
PNG
(CHEMBL1254908 | N-[2-[1-(3-chlorophenyl)-4-keto-1,...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClFN5O2/c25-17-2-1-3-19(14-17)31-15-28-23(33)24(31)6-9-30(10-7-24)11-8-27-22(32)21-13-16-12-18(26)4-5-20(16)29-21/h1-5,12-14,29H,6-11,15H2,(H,27,32)(H,28,33)
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n/an/a 73n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50017663
PNG
(CHEMBL3288676)
Show SMILES Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cncnc1)-c1ccccc1
Show InChI InChI=1S/C21H15N5O/c1-25-20-10-18(14-5-3-2-4-6-14)24-26(20)19-9-15(7-8-17(19)21(25)27)16-11-22-13-23-12-16/h2-13H,1H3
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n/an/a 78n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat mGlu3 receptor transfected in HEK293 cells coexpressing mouse Galpha15 assessed as decrease in glutamate-induced calcium signaling ...


Bioorg Med Chem Lett 24: 2693-8 (2014)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50017663
PNG
(CHEMBL3288676)
Show SMILES Cn1c2cc(nn2c2cc(ccc2c1=O)-c1cncnc1)-c1ccccc1
Show InChI InChI=1S/C21H15N5O/c1-25-20-10-18(14-5-3-2-4-6-14)24-26(20)19-9-15(7-8-17(19)21(25)27)16-11-22-13-23-12-16/h2-13H,1H3
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n/an/a 78n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat mGlu3 receptor transfected in HEK293 cells coexpressing mouse Galpha15 assessed as decrease in glutamate-induced calcium signaling ...


Bioorg Med Chem Lett 24: 2693-8 (2014)

More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87163
PNG
(CHEMBL1255082 | N-[2-[1-(4-fluorophenyl)-4-keto-1,...)
Show SMILES Fc1ccc(cc1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-22-7-9-23(10-8-22)31-18-29-25(33)26(31)11-14-30(15-12-26)16-13-28-24(32)21-6-5-19-3-1-2-4-20(19)17-21/h1-10,17H,11-16,18H2,(H,28,32)(H,29,33)
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n/an/a 80n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged PLD2A in human HEK293 cells


J Med Chem 53: 6706-19 (2010)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50447906
PNG
(CHEMBL3114789)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccc(Cl)c(Cl)c1)CC1CC1
Show InChI InChI=1S/C21H24Cl2N4O3S/c1-26-10-19(25-12-26)31(29,30)27-8-15-16(9-27)21(15,7-13-2-3-13)11-24-20(28)14-4-5-17(22)18(23)6-14/h4-6,10,12-13,15-16H,2-3,7-9,11H2,1H3,(H,24,28)/t15-,16+,21-
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n/an/a 82n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake


Bioorg Med Chem Lett 24: 1067-70 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M5 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 6923-8 (2012)

More data for this
Ligand-Target Pair
metabotropic glutamate 1/2


(RAT)
BDBM50160413
PNG
(CHEMBL3786284)
Show InChI InChI=1S/C19H21N5/c1-2-4-24-15(3-1)17-18(23-24)19(21-10-20-17)22-16-13-6-11-5-12(8-13)9-14(16)7-11/h1-4,10-14,16H,5-9H2,(H,20,21,22)
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n/an/a 83n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mo...


Citation and Details
More data for this
Ligand-Target Pair
metabotropic glutamate 1/2


(RAT)
BDBM50160413
PNG
(CHEMBL3786284)
Show InChI InChI=1S/C19H21N5/c1-2-4-24-15(3-1)17-18(23-24)19(21-10-20-17)22-16-13-6-11-5-12(8-13)9-14(16)7-11/h1-4,10-14,16H,5-9H2,(H,20,21,22)
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n/an/a 84n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mo...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50047700
PNG
(CHEMBL3314850)
Show SMILES Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Show InChI InChI=1S/C14H9ClN6O2/c15-9-1-2-19-11(3-9)14(22)21-12-6-16-7-13(20-12)23-10-4-17-8-18-5-10/h1-8H,(H,20,21,22)
PDB
MMDB

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n/an/a 85n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human mGlu5 assessed as reduction in glutamate-induced calcium mobilization


Bioorg Med Chem Lett 24: 3307-14 (2014)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50439530
PNG
(CHEMBL2418364)
Show SMILES O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29N3O/c26-21(22-8-15-5-16(9-22)7-17(6-15)10-22)25-13-18-11-24(12-19(18)14-25)20-3-1-2-4-23-20/h1-4,15-19H,5-14H2/t15?,16?,17?,18-,19+,22?
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n/an/a 85n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu1 receptor expressed in HEK293A TREx cells assessed as calcium flux after 45 mins


Bioorg Med Chem Lett 23: 5091-6 (2013)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50439530
PNG
(CHEMBL2418364)
Show SMILES O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29N3O/c26-21(22-8-15-5-16(9-22)7-17(6-15)10-22)25-13-18-11-24(12-19(18)14-25)20-3-1-2-4-23-20/h1-4,15-19H,5-14H2/t15?,16?,17?,18-,19+,22?
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n/an/a 85n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu1 receptor expressed in HEK293A TREx cells assessed as calcium flux after 45 mins


Bioorg Med Chem Lett 23: 5091-6 (2013)

More data for this
Ligand-Target Pair
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