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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'adelinet' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163592
PNG
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+
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n/an/a 0.550n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163613
PNG
((2,3-Dihydro-1H-cyclopenta[b]quinolin-7-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCc3cc2c1
Show InChI InChI=1S/C20H23NO2/c1-23-17-8-5-13(6-9-17)20(22)15-7-10-19-16(12-15)11-14-3-2-4-18(14)21-19/h7,10-13,17H,2-6,8-9H2,1H3/t13-,17+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163596
PNG
((2-Amino-3-ethyl-quinolin-6-yl)-(4-methoxy-cyclohe...)
Show SMILES CCc1cc2cc(ccc2nc1N)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C19H24N2O2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3,(H2,20,21)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163617
PNG
((2,3-Dihydro-thieno[2,3-b]quinolin-6-yl)-(4-methox...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3SCCc3cc2c1
Show InChI InChI=1S/C19H21NO2S/c1-22-16-5-2-12(3-6-16)18(21)13-4-7-17-15(10-13)11-14-8-9-23-19(14)20-17/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3/t12-,16+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163617
PNG
((2,3-Dihydro-thieno[2,3-b]quinolin-6-yl)-(4-methox...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3SCCc3cc2c1
Show InChI InChI=1S/C19H21NO2S/c1-22-16-5-2-12(3-6-16)18(21)13-4-7-17-15(10-13)11-14-8-9-23-19(14)20-17/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3/t12-,16+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163590
PNG
((2,3-Diethyl-quinolin-6-yl)-(4-methoxy-cyclohexyl)...)
Show SMILES CCc1cc2cc(ccc2nc1CC)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C21H27NO2/c1-4-14-12-17-13-16(8-11-20(17)22-19(14)5-2)21(23)15-6-9-18(24-3)10-7-15/h8,11-13,15,18H,4-7,9-10H2,1-3H3
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163592
PNG
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163589
PNG
((4-Methoxy-cyclohexyl)-(2-propyl-quinolin-6-yl)-me...)
Show SMILES CCCc1ccc2cc(ccc2n1)C(=O)[C@@H]1CC[C@@H](CC1)OC
Show InChI InChI=1S/C20H25NO2/c1-3-4-17-9-5-15-13-16(8-12-19(15)21-17)20(22)14-6-10-18(23-2)11-7-14/h5,8-9,12-14,18H,3-4,6-7,10-11H2,1-2H3/t14-,18+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163607
PNG
(3-ethyl-6-[(4-methoxycyclohexyl)carbonyl]quinoline...)
Show SMILES CCc1cnc2ccc(cc2c1)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C19H23NO2/c1-3-13-10-16-11-15(6-9-18(16)20-12-13)19(21)14-4-7-17(22-2)8-5-14/h6,9-12,14,17H,3-5,7-8H2,1-2H3
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163616
PNG
((2-Chloro-3-ethyl-quinolin-6-yl)-(4-methoxy-cycloh...)
Show SMILES CCc1cc2cc(ccc2nc1Cl)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C19H22ClNO2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163613
PNG
((2,3-Dihydro-1H-cyclopenta[b]quinolin-7-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCc3cc2c1
Show InChI InChI=1S/C20H23NO2/c1-23-17-8-5-13(6-9-17)20(22)15-7-10-19-16(12-15)11-14-3-2-4-18(14)21-19/h7,10-13,17H,2-6,8-9H2,1H3/t13-,17+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163616
PNG
((2-Chloro-3-ethyl-quinolin-6-yl)-(4-methoxy-cycloh...)
Show SMILES CCc1cc2cc(ccc2nc1Cl)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C19H22ClNO2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163589
PNG
((4-Methoxy-cyclohexyl)-(2-propyl-quinolin-6-yl)-me...)
Show SMILES CCCc1ccc2cc(ccc2n1)C(=O)[C@@H]1CC[C@@H](CC1)OC
Show InChI InChI=1S/C20H25NO2/c1-3-4-17-9-5-15-13-16(8-12-19(15)21-17)20(22)14-6-10-18(23-2)11-7-14/h5,8-9,12-14,18H,3-4,6-7,10-11H2,1-2H3/t14-,18+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163606
PNG
(1-(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-2-ph...)
Show SMILES O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163609
PNG
((4-Methoxy-cyclohexyl)-(2-methyl-3-propyl-quinolin...)
Show SMILES CCCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC
Show InChI InChI=1S/C21H27NO2/c1-4-5-16-12-18-13-17(8-11-20(18)22-14(16)2)21(23)15-6-9-19(24-3)10-7-15/h8,11-13,15,19H,4-7,9-10H2,1-3H3/t15-,19+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163601
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-yl)-(3-ethyl-2-met...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C21H19NO3/c1-3-14-10-16-11-15(8-9-17(16)22-13(14)2)21(23)20-12-24-18-6-4-5-7-19(18)25-20/h4-11,20H,3,12H2,1-2H3
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163609
PNG
((4-Methoxy-cyclohexyl)-(2-methyl-3-propyl-quinolin...)
Show SMILES CCCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC
Show InChI InChI=1S/C21H27NO2/c1-4-5-16-12-18-13-17(8-11-20(18)22-14(16)2)21(23)15-6-9-19(24-3)10-7-15/h8,11-13,15,19H,4-7,9-10H2,1-3H3/t15-,19+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163611
PNG
(1-(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-2-th...)
Show SMILES O=C(Cc1ccsc1)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C18H15NO2S/c20-17(8-12-5-7-22-11-12)13-3-4-16-15(9-13)10-14-2-1-6-21-18(14)19-16/h3-5,7,9-11H,1-2,6,8H2
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase (MELK)


(Homo sapiens (Human))
BDBM50043378
PNG
(CHEMBL3355064)
Show SMILES FC(F)(F)c1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN1CCNCC1
Show InChI InChI=1S/C24H22F3N3O/c25-24(26,27)23-15-22(6-5-20(23)17-30-11-9-28-10-12-30)31-13-1-2-18-3-4-19-7-8-29-16-21(19)14-18/h3-8,14-16,28H,9-13,17H2
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KEGG

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n/an/a 7.60n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK (unknown origin) using KKLNRTLSFAEPG substrate by Millipore/scintillation counting analysis


ACS Med Chem Lett 6: 31-6 (2015)


Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163590
PNG
((2,3-Diethyl-quinolin-6-yl)-(4-methoxy-cyclohexyl)...)
Show SMILES CCc1cc2cc(ccc2nc1CC)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C21H27NO2/c1-4-14-12-17-13-16(8-11-20(17)22-19(14)5-2)21(23)15-6-9-18(24-3)10-7-15/h8,11-13,15,18H,4-7,9-10H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163615
PNG
((4-Methoxy-cyclohexyl)-(1-methyl-1,2,3,4-tetrahydr...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3N(C)CCCc3cc2c1
Show InChI InChI=1S/C21H26N2O2/c1-23-11-3-4-16-13-17-12-15(7-10-19(17)22-21(16)23)20(24)14-5-8-18(25-2)9-6-14/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3/t14-,18+
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163623
PNG
((3-Ethyl-2-fluoro-quinolin-6-yl)-(4-methoxy-cycloh...)
Show SMILES CCc1cc2cc(ccc2nc1F)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C19H22FNO2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163604
PNG
(1-(3-Ethyl-2-methyl-quinolin-6-yl)-2-phenyl-ethano...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccccc1
Show InChI InChI=1S/C20H19NO/c1-3-16-12-18-13-17(9-10-19(18)21-14(16)2)20(22)11-15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50043380
PNG
(CHEMBL3355065)
Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)
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n/an/a 10n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin)


ACS Med Chem Lett 6: 31-6 (2015)


Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163599
PNG
(Bicyclo[2.2.1]hept-2-yl-(3-ethyl-2-methyl-quinolin...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C1CC2CCC1C2
Show InChI InChI=1S/C20H23NO/c1-3-14-10-17-11-16(6-7-19(17)21-12(14)2)20(22)18-9-13-4-5-15(18)8-13/h6-7,10-11,13,15,18H,3-5,8-9H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163584
PNG
((3-Ethyl-2-iodo-quinolin-6-yl)-(4-methoxy-cyclohex...)
Show SMILES CCc1cc2cc(ccc2nc1I)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C19H22INO2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163606
PNG
(1-(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-2-ph...)
Show SMILES O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2
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n/an/a 14n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163620
PNG
((3-Ethyl-2-hydroxy-quinolin-6-yl)-(4-methoxy-cyclo...)
Show SMILES CCc1cc2cc(ccc2[nH]c1=O)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C19H23NO3/c1-3-12-10-15-11-14(6-9-17(15)20-19(12)22)18(21)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3,(H,20,22)
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n/an/a 15n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50410312
PNG
(CHEMBL2112048)
Show SMILES C[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCCCc3cc2c1
Show InChI InChI=1S/C22H27NO/c1-15-7-9-16(10-8-15)22(24)18-11-12-21-19(14-18)13-17-5-3-2-4-6-20(17)23-21/h11-16H,2-10H2,1H3/t15-,16+
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n/an/a 16n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163598
PNG
(1-(3-Ethyl-2-methyl-quinolin-6-yl)-2-(4-methoxy-cy...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C[C@H]1CC[C@H](CC1)OC
Show InChI InChI=1S/C21H27NO2/c1-4-16-12-18-13-17(7-10-20(18)22-14(16)2)21(23)11-15-5-8-19(24-3)9-6-15/h7,10,12-13,15,19H,4-6,8-9,11H2,1-3H3/t15-,19+
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n/an/a 16n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163614
PNG
((4-Methoxy-cyclohexyl)-(7,8,9,10-tetrahydro-6H-cyc...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCCCc3cc2c1
Show InChI InChI=1S/C22H27NO2/c1-25-19-10-7-15(8-11-19)22(24)17-9-12-21-18(14-17)13-16-5-3-2-4-6-20(16)23-21/h9,12-15,19H,2-8,10-11H2,1H3/t15-,19+
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n/an/a 18n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163586
PNG
((3-Ethyl-2-methoxy-quinolin-6-yl)-(4-methoxy-cyclo...)
Show SMILES CCc1cc2cc(ccc2nc1OC)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase (MELK)


(Homo sapiens (Human))
BDBM50043380
PNG
(CHEMBL3355065)
Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)
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n/an/a 19n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK (unknown origin) using KKLNRTLSFAEPG substrate by Millipore/scintillation counting analysis


ACS Med Chem Lett 6: 31-6 (2015)


Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase (MELK)


(Homo sapiens (Human))
BDBM50043380
PNG
(CHEMBL3355065)
Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)
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n/an/a 20n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK (unknown origin)


ACS Med Chem Lett 6: 31-6 (2015)


Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50043380
PNG
(CHEMBL3355065)
Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)
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n/an/a 20n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Flt1 (unknown origin)


ACS Med Chem Lett 6: 31-6 (2015)


Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163586
PNG
((3-Ethyl-2-methoxy-quinolin-6-yl)-(4-methoxy-cyclo...)
Show SMILES CCc1cc2cc(ccc2nc1OC)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor 1 transmembrane domain


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163615
PNG
((4-Methoxy-cyclohexyl)-(1-methyl-1,2,3,4-tetrahydr...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3N(C)CCCc3cc2c1
Show InChI InChI=1S/C21H26N2O2/c1-23-11-3-4-16-13-17-12-15(7-10-19(17)22-21(16)23)20(24)14-5-8-18(25-2)9-6-14/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3/t14-,18+
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n/an/a 29n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50043380
PNG
(CHEMBL3355065)
Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)
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n/an/a 30n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Flt4 (unknown origin)


ACS Med Chem Lett 6: 31-6 (2015)


Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50043380
PNG
(CHEMBL3355065)
Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)
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n/an/a 30n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Yes1 (unknown origin)


ACS Med Chem Lett 6: 31-6 (2015)


Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase (MELK)


(Homo sapiens (Human))
BDBM50043341
PNG
(CHEMBL3355059)
Show SMILES COc1cc(ccc1C(=O)Nc1ccc2CCNCCc2c1)-c1cn[nH]c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
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n/an/a 37n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MELK (unknown origin)


ACS Med Chem Lett 6: 31-6 (2015)


Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163610
PNG
((4-Ethyl-1,2,3,9b-tetraaza-cyclopenta[a]naphthalen...)
Show SMILES CCc1cc2cc(ccc2n2nnnc12)C(=O)[C@@H]1CC[C@@H](CC1)OC
Show InChI InChI=1S/C19H22N4O2/c1-3-12-10-15-11-14(6-9-17(15)23-19(12)20-21-22-23)18(24)13-4-7-16(25-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3/t13-,16+
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n/an/a 45n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163592
PNG
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+
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n/an/a 45n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50043380
PNG
(CHEMBL3355065)
Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)
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n/an/a 46n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin)


ACS Med Chem Lett 6: 31-6 (2015)


Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50043380
PNG
(CHEMBL3355065)
Show SMILES CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O/c1-29-24-14-19-5-4-18(13-21(19)16-31-24)3-2-12-33-22-7-6-20(23(15-22)25(26,27)28)17-32-10-8-30-9-11-32/h4-7,13-16,30H,8-12,17H2,1H3,(H,29,31)
PDB
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n/an/a 50n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin)


ACS Med Chem Lett 6: 31-6 (2015)


Article DOI: 10.1021/ml5001273
BindingDB Entry DOI: 10.7270/Q26111XQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163600
PNG
((3-Ethyl-2-methyl-quinolin-6-yl)-(4-hydroxy-cycloh...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C1CCC(O)CC1
Show InChI InChI=1S/C19H23NO2/c1-3-13-10-16-11-15(6-9-18(16)20-12(13)2)19(22)14-4-7-17(21)8-5-14/h6,9-11,14,17,21H,3-5,7-8H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163604
PNG
(1-(3-Ethyl-2-methyl-quinolin-6-yl)-2-phenyl-ethano...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccccc1
Show InChI InChI=1S/C20H19NO/c1-3-16-12-18-13-17(9-10-19(18)21-14(16)2)20(22)11-15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3
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n/an/a 51n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163587
PNG
((3-Ethyl-2-methyl-quinolin-6-yl)-indan-2-yl-methan...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H21NO/c1-3-15-10-19-13-18(8-9-21(19)23-14(15)2)22(24)20-11-16-6-4-5-7-17(16)12-20/h4-10,13,20H,3,11-12H2,1-2H3
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n/an/a 56n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163584
PNG
((3-Ethyl-2-iodo-quinolin-6-yl)-(4-methoxy-cyclohex...)
Show SMILES CCc1cc2cc(ccc2nc1I)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C19H22INO2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3
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n/an/a 62n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50163590
PNG
((2,3-Diethyl-quinolin-6-yl)-(4-methoxy-cyclohexyl)...)
Show SMILES CCc1cc2cc(ccc2nc1CC)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C21H27NO2/c1-4-14-12-17-13-16(8-11-20(17)22-19(14)5-2)21(23)15-6-9-18(24-3)10-7-15/h8,11-13,15,18H,4-7,9-10H2,1-3H3
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n/an/a 65n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163611
PNG
(1-(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-2-th...)
Show SMILES O=C(Cc1ccsc1)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C18H15NO2S/c20-17(8-12-5-7-22-11-12)13-3-4-16-15(9-13)10-14-2-1-6-21-18(14)19-16/h3-5,7,9-11H,1-2,6,8H2
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n/an/a 74n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
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