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Compile Data Set for Download or QSAR

Found 1536 hits with Last Name = 'smith' and Initial = 'n'   
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


(Rattus norvegicus (Rat))
BDBM109106
PNG
(US8609852, 13)
Show SMILES Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1C
Show InChI InChI=1S/C17H13N3S/c1-12-5-3-4-6-16(12)17-18-9-14(10-19-17)7-8-15-11-21-13(2)20-15/h3-6,9-11H,1-2H3
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US Patent
0.600 -52.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109136
PNG
(US8609852, 43)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H11ClN2S/c1-12-20-17(11-21-12)6-5-13-7-15(10-19-9-13)14-3-2-4-16(18)8-14/h2-4,7-11H,1H3
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0.650 -52.4n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109101
PNG
(US8609852, 7)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1Cl
Show InChI InChI=1S/C17H11ClN2S/c1-12-20-14(11-21-12)8-6-13-7-9-17(19-10-13)15-4-2-3-5-16(15)18/h2-5,7,9-11H,1H3
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0.700 -52.3n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109157
PNG
(US8609852, 64)
Show SMILES CSc1ccccc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1
Show InChI InChI=1S/C18H14N2S2/c1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2/h3-6,8,10-12H,1-2H3/p+1
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0.800 -51.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109115
PNG
(US8609852, 117 | US8609852, 34)
Show SMILES Cc1[nH+]c(cs1)C#Cc1cnc(NC(C)(C)C)nc1
Show InChI InChI=1S/C14H16N4S/c1-10-17-12(9-19-10)6-5-11-7-15-13(16-8-11)18-14(2,3)4/h7-9H,1-4H3,(H,15,16,18)/p+1
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0.900 -51.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109121
PNG
(US8609852, 28)
Show SMILES Cc1nc(cs1)C#Cc1ccc(SC(C)(C)C)nc1
Show InChI InChI=1S/C15H16N2S2/c1-11-17-13(10-18-11)7-5-12-6-8-14(16-9-12)19-15(2,3)4/h6,8-10H,1-4H3
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0.900 -51.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109102
PNG
(US8609852, 8)
Show SMILES COc1ccccc1-c1ccc(cn1)C#Cc1csc(C)n1
Show InChI InChI=1S/C18H14N2OS/c1-13-20-15(12-22-13)9-7-14-8-10-17(19-11-14)16-5-3-4-6-18(16)21-2/h3-6,8,10-12H,1-2H3
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0.900 -51.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109176
PNG
(US8609852, 85)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H11N3S/c1-13-21-18(12-22-13)6-5-15-8-17(11-20-10-15)16-4-2-3-14(7-16)9-19/h2-4,7-8,10-12H,1H3
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1 -51.4n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109099
PNG
(US8609852, 5)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1C
Show InChI InChI=1S/C18H14N2S/c1-13-5-3-4-6-17(13)18-10-8-15(11-19-18)7-9-16-12-21-14(2)20-16/h3-6,8,10-12H,1-2H3
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1 -51.4n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109115
PNG
(US8609852, 117 | US8609852, 34)
Show SMILES Cc1[nH+]c(cs1)C#Cc1cnc(NC(C)(C)C)nc1
Show InChI InChI=1S/C14H16N4S/c1-10-17-12(9-19-10)6-5-11-7-15-13(16-8-11)18-14(2,3)4/h7-9H,1-4H3,(H,15,16,18)/p+1
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1 -51.4n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109120
PNG
(US8609852, 27)
Show SMILES Cc1nc(cs1)C#Cc1ccc(OC(C)(C)C)nc1
Show InChI InChI=1S/C15H16N2OS/c1-11-17-13(10-19-11)7-5-12-6-8-14(16-9-12)18-15(2,3)4/h6,8-10H,1-4H3
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1 -51.4n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109182
PNG
(US8609852, 91)
Show SMILES Cc1[nH+]c(cs1)C#Cc1cncc(Oc2cccnc2)c1
Show InChI InChI=1S/C16H11N3OS/c1-12-19-14(11-21-12)5-4-13-7-16(10-18-8-13)20-15-3-2-6-17-9-15/h2-3,6-11H,1H3/p+1
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1 -51.4n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109105
PNG
(US8609852, 12)
Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cc(F)ccc1C
Show InChI InChI=1S/C18H13FN2S/c1-12-3-6-15(19)9-17(12)18-8-5-14(10-20-18)4-7-16-11-22-13(2)21-16/h3,5-6,8-11H,1-2H3/p+1
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1.10 -51.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109100
PNG
(US8609852, 6)
Show SMILES COc1ccc(F)cc1-c1ccc(cn1)C#Cc1csc(C)n1
Show InChI InChI=1S/C18H13FN2OS/c1-12-21-15(11-23-12)6-3-13-4-7-17(20-10-13)16-9-14(19)5-8-18(16)22-2/h4-5,7-11H,1-2H3
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1.20 -50.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109113
PNG
(US8609852, 20)
Show SMILES CC1CCCN1c1ccc(c[nH+]1)C#Cc1csc(C)n1
Show InChI InChI=1S/C16H17N3S/c1-12-4-3-9-19(12)16-8-6-14(10-17-16)5-7-15-11-20-13(2)18-15/h6,8,10-12H,3-4,9H2,1-2H3/p+1
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1.40 -50.5n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50181753
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1
Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3
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US Patent
1.40 -50.5n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109153
PNG
(US8609852, 60)
Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1cccc(Cl)c1C
Show InChI InChI=1S/C18H13ClN2S/c1-12-16(4-3-5-17(12)19)18-9-7-14(10-20-18)6-8-15-11-22-13(2)21-15/h3-5,7,9-11H,1-2H3/p+1
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1.5 -50.4n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109147
PNG
(US8609852, 54)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cc(C)ccc1F
Show InChI InChI=1S/C18H13FN2S/c1-12-3-7-17(19)16(9-12)18-8-5-14(10-20-18)4-6-15-11-22-13(2)21-15/h3,5,7-11H,1-2H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109114
PNG
(US8609852, 21)
Show SMILES CC1CCCN1c1ncc(cn1)C#Cc1csc(C)n1
Show InChI InChI=1S/C15H16N4S/c1-11-4-3-7-19(11)15-16-8-13(9-17-15)5-6-14-10-20-12(2)18-14/h8-11H,3-4,7H2,1-2H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109151
PNG
(US8609852, 58)
Show SMILES CC1CCC(C)N1c1ccc(cn1)C#Cc1csc(C)[nH+]1
Show InChI InChI=1S/C17H19N3S/c1-12-4-5-13(2)20(12)17-9-7-15(10-18-17)6-8-16-11-21-14(3)19-16/h7,9-13H,4-5H2,1-3H3/p+1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109194
PNG
(US8609852, 103)
Show SMILES CC1CCCN(C1)c1ncc(cn1)C#Cc1csc(C)[nH+]1
Show InChI InChI=1S/C16H18N4S/c1-12-4-3-7-20(10-12)16-17-8-14(9-18-16)5-6-15-11-21-13(2)19-15/h8-9,11-12H,3-4,7,10H2,1-2H3/p+1
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1.60 -50.2n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109116
PNG
(US8609852, 23)
Show SMILES CC1CCCN(C1)c1ncc(cn1)C#Cc1csc(C)n1
Show InChI InChI=1S/C16H18N4S/c1-12-4-3-7-20(10-12)16-17-8-14(9-18-16)5-6-15-11-21-13(2)19-15/h8-9,11-12H,3-4,7,10H2,1-2H3
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1.60 -50.2n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50154997
PNG
(3-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-pheny...)
Show SMILES Cc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H13FN6/c1-12-5-7-20-11-16(12)13-8-14(19)10-15(9-13)25-23-18(22-24-25)17-4-2-3-6-21-17/h2-11H,1H3
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1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...


Bioorg Med Chem Lett 14: 5481-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.018
BindingDB Entry DOI: 10.7270/Q25M657V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109096
PNG
(US8609852, 2)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1F
Show InChI InChI=1S/C17H11FN2S/c1-12-20-14(11-21-12)8-6-13-7-9-17(19-10-13)15-4-2-3-5-16(15)18/h2-5,7,9-11H,1H3
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2 -49.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109180
PNG
(US8609852, 89)
Show SMILES CCOc1ccccc1-c1ccc(c[nH+]1)C#Cc1csc(C)n1
Show InChI InChI=1S/C19H16N2OS/c1-3-22-19-7-5-4-6-17(19)18-11-9-15(12-20-18)8-10-16-13-23-14(2)21-16/h4-7,9,11-13H,3H2,1-2H3/p+1
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2 -49.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109173
PNG
(US8609852, 82)
Show SMILES CN(c1cccnc1)c1cncc(c1)C#Cc1csc(C)[nH+]1
Show InChI InChI=1S/C17H14N4S/c1-13-20-15(12-22-13)6-5-14-8-17(11-19-9-14)21(2)16-4-3-7-18-10-16/h3-4,7-12H,1-2H3/p+1
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2 -49.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109166
PNG
(US8609852, 73)
Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)C1CC2CCC1C2 |THB:11:14:17.18:20|
Show InChI InChI=1S/C18H18N2S/c1-12-20-16(11-21-12)6-3-13-4-7-18(19-10-13)17-9-14-2-5-15(17)8-14/h4,7,10-11,14-15,17H,2,5,8-9H2,1H3/p+1
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2 -49.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109145
PNG
(US8609852, 52)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(C)c1
Show InChI InChI=1S/C18H14N2S/c1-13-4-3-5-16(10-13)18-9-7-15(11-19-18)6-8-17-12-21-14(2)20-17/h3-5,7,9-12H,1-2H3
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2 -49.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109139
PNG
(US8609852, 46)
Show SMILES Cc1[nH+]c(cs1)C#Cc1ccc([nH+]c1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-16(11-21-12)8-2-13-3-9-17(19-10-13)14-4-6-15(18)7-5-14/h3-7,9-11H,1H3/p+2
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2 -49.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109137
PNG
(US8609852, 44)
Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)-c1ccccc1CO
Show InChI InChI=1S/C18H14N2OS/c1-13-20-16(12-22-13)8-6-14-7-9-18(19-10-14)17-5-3-2-4-15(17)11-21/h2-5,7,9-10,12,21H,11H2,1H3/p+1
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2 -49.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50154997
PNG
(3-[3-Fluoro-5-(5-pyridin-2-yl-tetrazol-2-yl)-pheny...)
Show SMILES Cc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ccccn1
Show InChI InChI=1S/C18H13FN6/c1-12-5-7-20-11-16(12)13-8-14(19)10-15(9-13)25-23-18(22-24-25)17-4-2-3-6-21-17/h2-11H,1H3
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...


Bioorg Med Chem Lett 14: 5477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.011
BindingDB Entry DOI: 10.7270/Q29C6WXB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109119
PNG
(US8609852, 26)
Show SMILES CC(C)Oc1ccc(cn1)C#Cc1csc(C)n1
Show InChI InChI=1S/C14H14N2OS/c1-10(2)17-14-7-5-12(8-15-14)4-6-13-9-18-11(3)16-13/h5,7-10H,1-3H3
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2 -49.7n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109123
PNG
(US8609852, 30)
Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)C1CCCCC1
Show InChI InChI=1S/C17H18N2S/c1-13-19-16(12-20-13)9-7-14-8-10-17(18-11-14)15-5-3-2-4-6-15/h8,10-12,15H,2-6H2,1H3/p+1
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2.30 -49.3n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109108
PNG
(US8609852, 15)
Show SMILES Cc1nc(cs1)C#Cc1cnc(nc1)-c1ccccc1Cl
Show InChI InChI=1S/C16H10ClN3S/c1-11-20-13(10-21-11)7-6-12-8-18-16(19-9-12)14-4-2-3-5-15(14)17/h2-5,8-10H,1H3
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2.60 -49.0n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109117
PNG
(US8609852, 24)
Show SMILES Cc1nc(cs1)C#Cc1cnc(nc1)N1CCCCC1
Show InChI InChI=1S/C15H16N4S/c1-12-18-14(11-20-12)6-5-13-9-16-15(17-10-13)19-7-3-2-4-8-19/h9-11H,2-4,7-8H2,1H3
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2.60 -49.0n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109098
PNG
(US8609852, 4)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccccc1C#N
Show InChI InChI=1S/C18H11N3S/c1-13-21-16(12-22-13)8-6-14-7-9-18(20-11-14)17-5-3-2-4-15(17)10-19/h2-5,7,9,11-12H,1H3
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2.60 -49.0n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109097
PNG
(US8609852, 3)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(F)c1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-16(11-21-12)7-5-13-6-8-17(19-10-13)14-3-2-4-15(18)9-14/h2-4,6,8-11H,1H3
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2.70 -48.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109112
PNG
(US8609852, 19)
Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)N1CCCCC1
Show InChI InChI=1S/C16H17N3S/c1-13-18-15(12-20-13)7-5-14-6-8-16(17-11-14)19-9-3-2-4-10-19/h6,8,11-12H,2-4,9-10H2,1H3/p+1
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2.80 -48.8n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109184
PNG
(US8609852, 93)
Show SMILES Cc1[nH+]c(cs1)C#Cc1cnc(nc1)N1CCCCCC1
Show InChI InChI=1S/C16H18N4S/c1-13-19-15(12-21-13)7-6-14-10-17-16(18-11-14)20-8-4-2-3-5-9-20/h10-12H,2-5,8-9H2,1H3/p+1
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3 -48.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50123009
PNG
(3-Methyl-5-(2-methyl-thiazol-4-ylethynyl)-pyridine...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(C)c1
Show InChI InChI=1S/C12H10N2S/c1-9-5-11(7-13-6-9)3-4-12-8-15-10(2)14-12/h5-8H,1-2H3
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3 -48.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109169
PNG
(US8609852, 76)
Show SMILES Cc1[nH+]c(cs1)C#Cc1c[nH+]cc(c1)C1CC1
Show InChI InChI=1S/C14H12N2S/c1-10-16-14(9-17-10)5-2-11-6-13(8-15-7-11)12-3-4-12/h6-9,12H,3-4H2,1H3/p+2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109129
PNG
(US8609852, 36)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1c(C)cccc1C
Show InChI InChI=1S/C19H16N2S/c1-13-5-4-6-14(2)19(13)18-10-8-16(11-20-18)7-9-17-12-22-15(3)21-17/h4-6,8,10-12H,1-3H3
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3 -48.6n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50155000
PNG
(3-{3-Fluoro-5-[5-(1H-imidazol-2-yl)-tetrazol-2-yl]...)
Show SMILES Fc1cc(Oc2cccnc2)cc(c1)-n1nnc(n1)-c1ncc[nH]1
Show InChI InChI=1S/C15H10FN7O/c16-10-6-11(8-13(7-10)24-12-2-1-3-17-9-12)23-21-15(20-22-23)14-18-4-5-19-14/h1-9H,(H,18,19)
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3.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...


Bioorg Med Chem Lett 14: 5481-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.018
BindingDB Entry DOI: 10.7270/Q25M657V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50155006
PNG
(3-{3-Fluoro-5-[5-(1H-imidazol-2-yl)-tetrazol-2-yl]...)
Show SMILES Cc1ccncc1-c1cc(F)cc(c1)-n1nnc(n1)-c1ncc[nH]1
Show InChI InChI=1S/C16H12FN7/c1-10-2-3-18-9-14(10)11-6-12(17)8-13(7-11)24-22-16(21-23-24)15-19-4-5-20-15/h2-9H,1H3,(H,19,20)
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3.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...


Bioorg Med Chem Lett 14: 5481-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.018
BindingDB Entry DOI: 10.7270/Q25M657V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109110
PNG
(US8609852, 17)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-n1ccc2cccnc12
Show InChI InChI=1S/C18H12N4S/c1-13-21-16(12-23-13)6-4-14-5-7-17(20-11-14)22-10-8-15-3-2-9-19-18(15)22/h2-3,5,7-12H,1H3
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3.80 -48.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50154987
PNG
(3''-Fluoro-5''-(5-pyridin-2-yl-tetrazol-2-yl)-biph...)
Show SMILES Fc1cc(cc(c1)-n1nnc(n1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C19H11FN6/c20-15-9-14(17-6-2-1-5-13(17)12-21)10-16(11-15)26-24-19(23-25-26)18-7-3-4-8-22-18/h1-11H
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortica...


Bioorg Med Chem Lett 14: 5477-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.011
BindingDB Entry DOI: 10.7270/Q29C6WXB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109132
PNG
(US8609852, 39)
Show SMILES Cc1nc(cs1)C#Cc1ccc([nH+]c1)-n1ccc2ccccc12
Show InChI InChI=1S/C19H13N3S/c1-14-21-17(13-23-14)8-6-15-7-9-19(20-12-15)22-11-10-16-4-2-3-5-18(16)22/h2-5,7,9-13H,1H3/p+1
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4 -47.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109156
PNG
(US8609852, 63)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1cccc(C)c1C
Show InChI InChI=1S/C19H16N2S/c1-13-5-4-6-18(14(13)2)19-10-8-16(11-20-19)7-9-17-12-22-15(3)21-17/h4-6,8,10-12H,1-3H3
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4 -47.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109181
PNG
(US8609852, 90)
Show SMILES Cc1nc(cs1)C#Cc1cncc(Cl)c1
Show InChI InChI=1S/C11H7ClN2S/c1-8-14-11(7-15-8)3-2-9-4-10(12)6-13-5-9/h4-7H,1H3
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4 -47.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109152
PNG
(US8609852, 59)
Show SMILES CCC(C)(C)Nc1ccc(c[nH+]1)C#Cc1csc(C)n1
Show InChI InChI=1S/C16H19N3S/c1-5-16(3,4)19-15-9-7-13(10-17-15)6-8-14-11-20-12(2)18-14/h7,9-11H,5H2,1-4H3,(H,17,19)/p+1
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4 -47.9n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair
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