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Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'gobbi' and Initial = 'g'   
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
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477319
PNG
(CHEMBL394273)
Show SMILES COc1cccc(c1)N(CCNC(C)=O)c1cccc(OC)c1
Show InChI InChI=1S/C18H22N2O3/c1-14(21)19-10-11-20(15-6-4-8-17(12-15)22-2)16-7-5-9-18(13-16)23-3/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)
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0.0275n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477320
PNG
(CHEMBL235327)
Show SMILES COc1cccc(c1)N(CCNC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H20N2O2/c1-14(20)18-11-12-19(15-7-4-3-5-8-15)16-9-6-10-17(13-16)21-2/h3-10,13H,11-12H2,1-2H3,(H,18,20)
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0.0661n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477318
PNG
(CHEMBL279401)
Show SMILES CCCC(=O)NCCN(c1ccccc1)c1cccc(OC)c1
Show InChI InChI=1S/C19H24N2O2/c1-3-8-19(22)20-13-14-21(16-9-5-4-6-10-16)17-11-7-12-18(15-17)23-2/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,20,22)
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0.105n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477315
PNG
(CHEMBL237234)
Show SMILES COc1cccc(c1)N(CCNC(C)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H22N2O2/c1-16(24)22-12-13-23(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)
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0.112n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.141n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477309
PNG
(CHEMBL235328)
Show SMILES CC(=O)NCCN(c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/C16H17BrN2O/c1-13(20)18-10-11-19(15-7-3-2-4-8-15)16-9-5-6-14(17)12-16/h2-9,12H,10-11H2,1H3,(H,18,20)
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0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477311
PNG
(CHEMBL237236)
Show SMILES COc1cccc(c1)N(C)CCNC(C)=O
Show InChI InChI=1S/C12H18N2O2/c1-10(15)13-7-8-14(2)11-5-4-6-12(9-11)16-3/h4-6,9H,7-8H2,1-3H3,(H,13,15)
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0.646n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477316
PNG
(CHEMBL395437)
Show SMILES COc1cccc(c1)N(CCNC(C)=O)Cc1ccccc1
Show InChI InChI=1S/C18H22N2O2/c1-15(21)19-11-12-20(14-16-7-4-3-5-8-16)17-9-6-10-18(13-17)22-2/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)
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0.759n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477311
PNG
(CHEMBL237236)
Show SMILES COc1cccc(c1)N(C)CCNC(C)=O
Show InChI InChI=1S/C12H18N2O2/c1-10(15)13-7-8-14(2)11-5-4-6-12(9-11)16-3/h4-6,9H,7-8H2,1-3H3,(H,13,15)
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0.813n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477310
PNG
(CHEMBL235329)
Show SMILES COc1cccc(c1)N(C)CCCNC(C)=O
Show InChI InChI=1S/C13H20N2O2/c1-11(16)14-8-5-9-15(2)12-6-4-7-13(10-12)17-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,16)
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0.832n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477322
PNG
(CHEMBL394430)
Show SMILES COc1ccc(cc1)N(CCNC(C)=O)c1cccc(OC)c1
Show InChI InChI=1S/C18H22N2O3/c1-14(21)19-11-12-20(15-7-9-17(22-2)10-8-15)16-5-4-6-18(13-16)23-3/h4-10,13H,11-12H2,1-3H3,(H,19,21)
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0.871n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477310
PNG
(CHEMBL235329)
Show SMILES COc1cccc(c1)N(C)CCCNC(C)=O
Show InChI InChI=1S/C13H20N2O2/c1-11(16)14-8-5-9-15(2)12-6-4-7-13(10-12)17-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,16)
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477321
PNG
(CHEMBL238049)
Show SMILES COc1cccc(c1)N(CCNC(=O)C1CCC1)c1ccccc1
Show InChI InChI=1S/C20H24N2O2/c1-24-19-12-6-11-18(15-19)22(17-9-3-2-4-10-17)14-13-21-20(23)16-7-5-8-16/h2-4,6,9-12,15-16H,5,7-8,13-14H2,1H3,(H,21,23)
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3.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477313
PNG
(CHEMBL237840 | N-[2-(Diphenylamino)Ethyl]Acetamide)
Show SMILES CC(=O)NCCN(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H18N2O/c1-14(19)17-12-13-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,17,19)
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3.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477318
PNG
(CHEMBL279401)
Show SMILES CCCC(=O)NCCN(c1ccccc1)c1cccc(OC)c1
Show InChI InChI=1S/C19H24N2O2/c1-3-8-19(22)20-13-14-21(16-9-5-4-6-10-16)17-11-7-12-18(15-17)23-2/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,20,22)
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4.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477320
PNG
(CHEMBL235327)
Show SMILES COc1cccc(c1)N(CCNC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H20N2O2/c1-14(20)18-11-12-19(15-7-4-3-5-8-15)16-9-6-10-17(13-16)21-2/h3-10,13H,11-12H2,1-2H3,(H,18,20)
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4.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477312
PNG
(CHEMBL398017)
Show SMILES COc1cccc(NCCNC(C)=O)c1
Show InChI InChI=1S/C11H16N2O2/c1-9(14)12-6-7-13-10-4-3-5-11(8-10)15-2/h3-5,8,13H,6-7H2,1-2H3,(H,12,14)
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5.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50416684
PNG
(CHEMBL396132)
Show SMILES COc1cccc(OCCNC(C)=O)c1
Show InChI InChI=1S/C11H15NO3/c1-9(13)12-6-7-15-11-5-3-4-10(8-11)14-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)
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7.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477312
PNG
(CHEMBL398017)
Show SMILES COc1cccc(NCCNC(C)=O)c1
Show InChI InChI=1S/C11H16N2O2/c1-9(14)12-6-7-13-10-4-3-5-11(8-10)15-2/h3-5,8,13H,6-7H2,1-2H3,(H,12,14)
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7.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50416684
PNG
(CHEMBL396132)
Show SMILES COc1cccc(OCCNC(C)=O)c1
Show InChI InChI=1S/C11H15NO3/c1-9(13)12-6-7-15-11-5-3-4-10(8-11)14-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477309
PNG
(CHEMBL235328)
Show SMILES CC(=O)NCCN(c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/C16H17BrN2O/c1-13(20)18-10-11-19(15-7-3-2-4-8-15)16-9-5-6-14(17)12-16/h2-9,12H,10-11H2,1H3,(H,18,20)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477319
PNG
(CHEMBL394273)
Show SMILES COc1cccc(c1)N(CCNC(C)=O)c1cccc(OC)c1
Show InChI InChI=1S/C18H22N2O3/c1-14(21)19-10-11-20(15-6-4-8-17(12-15)22-2)16-7-5-9-18(13-16)23-3/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)
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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477317
PNG
(CHEMBL394676)
Show SMILES COc1ccc(cc1)N(CCNC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H20N2O2/c1-14(20)18-12-13-19(15-6-4-3-5-7-15)16-8-10-17(21-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,18,20)
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477316
PNG
(CHEMBL395437)
Show SMILES COc1cccc(c1)N(CCNC(C)=O)Cc1ccccc1
Show InChI InChI=1S/C18H22N2O2/c1-15(21)19-11-12-20(14-16-7-4-3-5-8-16)17-9-6-10-18(13-17)22-2/h3-10,13H,11-12,14H2,1-2H3,(H,19,21)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50477314
PNG
(CHEMBL235334)
Show SMILES COc1cccc(c1)N(CCN(C)C(C)=O)c1ccccc1
Show InChI InChI=1S/C18H22N2O2/c1-15(21)19(2)12-13-20(16-8-5-4-6-9-16)17-10-7-11-18(14-17)22-3/h4-11,14H,12-13H2,1-3H3
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52n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477322
PNG
(CHEMBL394430)
Show SMILES COc1ccc(cc1)N(CCNC(C)=O)c1cccc(OC)c1
Show InChI InChI=1S/C18H22N2O3/c1-14(21)19-11-12-20(15-7-9-17(22-2)10-8-15)16-5-4-6-18(13-16)23-3/h4-10,13H,11-12H2,1-3H3,(H,19,21)
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100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477313
PNG
(CHEMBL237840 | N-[2-(Diphenylamino)Ethyl]Acetamide)
Show SMILES CC(=O)NCCN(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H18N2O/c1-14(19)17-12-13-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,17,19)
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126n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477315
PNG
(CHEMBL237234)
Show SMILES COc1cccc(c1)N(CCNC(C)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H22N2O2/c1-16(24)22-12-13-23(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)
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132n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477321
PNG
(CHEMBL238049)
Show SMILES COc1cccc(c1)N(CCNC(=O)C1CCC1)c1ccccc1
Show InChI InChI=1S/C20H24N2O2/c1-24-19-12-6-11-18(15-19)22(17-9-3-2-4-10-17)14-13-21-20(23)16-7-5-8-16/h2-4,6,9-12,15-16H,5,7-8,13-14H2,1H3,(H,21,23)
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324n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477317
PNG
(CHEMBL394676)
Show SMILES COc1ccc(cc1)N(CCNC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H20N2O2/c1-14(20)18-12-13-19(15-6-4-3-5-7-15)16-8-10-17(21-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,18,20)
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776n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50477314
PNG
(CHEMBL235334)
Show SMILES COc1cccc(c1)N(CCN(C)C(C)=O)c1ccccc1
Show InChI InChI=1S/C18H22N2O2/c1-15(21)19(2)12-13-20(16-8-5-4-6-9-16)17-10-7-11-18(14-17)22-3/h4-11,14H,12-13H2,1-3H3
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1.29E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells


J Med Chem 50: 6618-26 (2007)


Article DOI: 10.1021/jm700957j
BindingDB Entry DOI: 10.7270/Q2M32ZJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
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