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Compile Data Set for Download or QSAR

Found 939 hits with Last Name = 'guillaumet' 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


(Homo sapiens (Human))
BDBM50139844
PNG
(CHEMBL3763503)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O3/c1-11(22)20-10-9-14-17-15(7-8-16(21-17)23-2)24-18(14)12-3-5-13(19)6-4-12/h3-8H,9-10H2,1-2H3,(H,20,22)
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0.0300n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139843
PNG
(CHEMBL3765540)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c1-12(21)19-11-10-14-17-15(8-9-16(20-17)22-2)23-18(14)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,19,21)
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0.0400n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50352003
PNG
(CHEMBL1823015)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2n1)-c1ccccc1
Show InChI InChI=1S/C18H19N3O2/c1-12(22)19-11-10-14-17(13-6-4-3-5-7-13)20-15-8-9-16(23-2)21-18(14)15/h3-9,20H,10-11H2,1-2H3,(H,19,22)
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0.0400n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in human HEK293 cells by radioligand binding assay


Eur J Med Chem 46: 4252-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.030
BindingDB Entry DOI: 10.7270/Q2B27VNX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139842
PNG
(CHEMBL3765401)
Show SMILES COc1ccc2oc(I)c(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H13IN2O3/c1-7(16)14-6-5-8-11-9(18-12(8)13)3-4-10(15-11)17-2/h3-4H,5-6H2,1-2H3,(H,14,16)
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0.0800n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139847
PNG
(CHEMBL3764765)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2O3/c1-14(25)23-12-11-18-21-19(9-10-20(24-21)26-2)27-22(18)17-8-7-15-5-3-4-6-16(15)13-17/h3-10,13H,11-12H2,1-2H3,(H,23,25)
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0.0900n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139843
PNG
(CHEMBL3765540)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c1-12(21)19-11-10-14-17-15(8-9-16(20-17)22-2)23-18(14)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,19,21)
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0.140n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50037242
PNG
(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
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0.150n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139842
PNG
(CHEMBL3765401)
Show SMILES COc1ccc2oc(I)c(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H13IN2O3/c1-7(16)14-6-5-8-11-9(18-12(8)13)3-4-10(15-11)17-2/h3-4H,5-6H2,1-2H3,(H,14,16)
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0.200n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139844
PNG
(CHEMBL3763503)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O3/c1-11(22)20-10-9-14-17-15(7-8-16(21-17)23-2)24-18(14)12-3-5-13(19)6-4-12/h3-8H,9-10H2,1-2H3,(H,20,22)
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0.200n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50352003
PNG
(CHEMBL1823015)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2n1)-c1ccccc1
Show InChI InChI=1S/C18H19N3O2/c1-12(22)19-11-10-14-17(13-6-4-3-5-7-13)20-15-8-9-16(23-2)21-18(14)15/h3-9,20H,10-11H2,1-2H3,(H,19,22)
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0.200n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in human HEK293 cells by radioligand binding assay


Eur J Med Chem 46: 4252-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.030
BindingDB Entry DOI: 10.7270/Q2B27VNX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340329
PNG
(4-azamelatonin | CHEMBL1760944)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16)
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0.200n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340329
PNG
(4-azamelatonin | CHEMBL1760944)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16)
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0.240n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in human HEK293 cells by radioligand binding assay


Eur J Med Chem 46: 4252-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.030
BindingDB Entry DOI: 10.7270/Q2B27VNX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340329
PNG
(4-azamelatonin | CHEMBL1760944)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16)
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0.240n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(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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0.25n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
Melatonin receptor


(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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0.25n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(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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0.25n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in human HEK293 cells by radioligand binding assay


Eur J Med Chem 46: 4252-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.030
BindingDB Entry DOI: 10.7270/Q2B27VNX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340324
PNG
(CHEMBL1760946 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)
Show SMILES CCC(=O)NCCn1ccc2ccc(OC)nc12
Show InChI InChI=1S/C13H17N3O2/c1-3-11(17)14-7-9-16-8-6-10-4-5-12(18-2)15-13(10)16/h4-6,8H,3,7,9H2,1-2H3,(H,14,17)
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0.280n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340329
PNG
(4-azamelatonin | CHEMBL1760944)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16)
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0.300n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50307501
PNG
((6S)-N,N-dipropyl-5,6,7,8-tetrahydro-1,1'-binaphth...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1cccc2ccccc12
Show InChI InChI=1S/C26H31N/c1-3-17-27(18-4-2)22-15-16-24-21(19-22)11-8-14-26(24)25-13-7-10-20-9-5-6-12-23(20)25/h5-14,22H,3-4,15-19H2,1-2H3/t22-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cells


Bioorg Med Chem 18: 1958-67 (2010)


Article DOI: 10.1016/j.bmc.2010.01.035
BindingDB Entry DOI: 10.7270/Q2S182M1
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340338
PNG
(CHEMBL1760947 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)
Show SMILES CCCC(=O)NCCn1ccc2ccc(OC)nc12
Show InChI InChI=1S/C14H19N3O2/c1-3-4-12(18)15-8-10-17-9-7-11-5-6-13(19-2)16-14(11)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18)
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0.300n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
Melatonin receptor


(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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0.340n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(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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0.340n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in human HEK293 cells by radioligand binding assay


Eur J Med Chem 46: 4252-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.030
BindingDB Entry DOI: 10.7270/Q2B27VNX
More data for this
Ligand-Target Pair
Melatonin receptor


(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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0.340n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50037242
PNG
(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
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0.340n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340329
PNG
(4-azamelatonin | CHEMBL1760944)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16)
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0.360n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340329
PNG
(4-azamelatonin | CHEMBL1760944)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16)
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0.360n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in human HEK293 cells by radioligand binding assay


Eur J Med Chem 46: 4252-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.030
BindingDB Entry DOI: 10.7270/Q2B27VNX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340325
PNG
(CHEMBL1760945 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)
Show SMILES COc1ccc2ccn(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16)
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0.600n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340327
PNG
(CHEMBL1760957 | N-(2-(5,6,7,8-Tetrahydro-2-methoxy...)
Show SMILES COc1ccc2c3CCCCc3n(CCNC(C)=O)c2n1
Show InChI InChI=1S/C16H21N3O2/c1-11(20)17-9-10-19-14-6-4-3-5-12(14)13-7-8-15(21-2)18-16(13)19/h7-8H,3-6,9-10H2,1-2H3,(H,17,20)
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0.680n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139351
PNG
(2-(6-cyclohexylpyridin-2-ylthio)-N,N-dimethylethan...)
Show SMILES CN(C)CCSc1cccc(n1)C1CCCCC1
Show InChI InChI=1S/C15H24N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cells


Bioorg Med Chem 18: 1958-67 (2010)


Article DOI: 10.1016/j.bmc.2010.01.035
BindingDB Entry DOI: 10.7270/Q2S182M1
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139841
PNG
(CHEMBL3763281)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H14N2O3/c1-8(15)13-6-5-9-7-17-10-3-4-11(16-2)14-12(9)10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
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1.20n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139846
PNG
(CHEMBL3764879)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cccc2ccccc12
Show InChI InChI=1S/C22H20N2O3/c1-14(25)23-13-12-18-21-19(10-11-20(24-21)26-2)27-22(18)17-9-5-7-15-6-3-4-8-16(15)17/h3-11H,12-13H2,1-2H3,(H,23,25)
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1.30n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340338
PNG
(CHEMBL1760947 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)
Show SMILES CCCC(=O)NCCn1ccc2ccc(OC)nc12
Show InChI InChI=1S/C14H19N3O2/c1-3-4-12(18)15-8-10-17-9-7-11-5-6-13(19-2)16-14(11)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18)
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1.30n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340325
PNG
(CHEMBL1760945 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)
Show SMILES COc1ccc2ccn(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16)
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1.40n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139841
PNG
(CHEMBL3763281)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H14N2O3/c1-8(15)13-6-5-9-7-17-10-3-4-11(16-2)14-12(9)10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
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1.60n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50426657
PNG
(CHEMBL2326199)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1
Show InChI InChI=1S/C21H27NO4/c1-4-21(23)22-12-6-8-17-14-19(25-3)10-11-20(17)26-15-16-7-5-9-18(13-16)24-2/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3,(H,22,23)
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1.70n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50127591
PNG
(2-(4,5-Dihydro-1H-imidazol-2-yl)-4,6-dimethyl-3,4-...)
Show SMILES CN1CC(Oc2ccc(C)cc12)C1=NCCN1
Show InChI InChI=1S/C13H17N3O/c1-9-3-4-11-10(7-9)16(2)8-12(17-11)13-14-5-6-15-13/h3-4,7,12H,5-6,8H2,1-2H3,(H,14,15)
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2n/an/an/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against imidazoline receptor I-2 using rabbit kidney preparation


J Med Chem 46: 1962-79 (2003)


Article DOI: 10.1021/jm021050c
BindingDB Entry DOI: 10.7270/Q22806Z1
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139847
PNG
(CHEMBL3764765)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2O3/c1-14(25)23-12-11-18-21-19(9-10-20(24-21)26-2)27-22(18)17-8-7-15-5-3-4-6-16(15)13-17/h3-10,13H,11-12H2,1-2H3,(H,23,25)
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2.20n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150684
PNG
((R)-8-(2,6-dimethoxyphenyl)-N,N-dimethylchroman-3-...)
Show SMILES COc1cccc(OC)c1-c1cccc2C[C@H](COc12)N(C)C
Show InChI InChI=1S/C19H23NO3/c1-20(2)14-11-13-7-5-8-15(19(13)23-12-14)18-16(21-3)9-6-10-17(18)22-4/h5-10,14H,11-12H2,1-4H3/t14-/m1/s1
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2.55n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cells


Bioorg Med Chem 18: 1958-67 (2010)


Article DOI: 10.1016/j.bmc.2010.01.035
BindingDB Entry DOI: 10.7270/Q2S182M1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150685
PNG
(((S)-5-Phenyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1
Show InChI InChI=1S/C22H29N/c1-3-15-23(16-4-2)20-13-14-22-19(17-20)11-8-12-21(22)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3/t20-/m0/s1
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2.91n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cells


Bioorg Med Chem 18: 1958-67 (2010)


Article DOI: 10.1016/j.bmc.2010.01.035
BindingDB Entry DOI: 10.7270/Q2S182M1
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340324
PNG
(CHEMBL1760946 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)
Show SMILES CCC(=O)NCCn1ccc2ccc(OC)nc12
Show InChI InChI=1S/C13H17N3O2/c1-3-11(17)14-7-9-16-8-6-10-4-5-12(18-2)15-13(10)16/h4-6,8H,3,7,9H2,1-2H3,(H,14,17)
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3.30n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150676
PNG
(((R)-8-Phenyl-chroman-3-yl)-dipropyl-amine | (R)-8...)
Show SMILES CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-13-22(14-4-2)19-15-18-11-8-12-20(21(18)23-16-19)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3/t19-/m1/s1
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3.38n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cells


Bioorg Med Chem 18: 1958-67 (2010)


Article DOI: 10.1016/j.bmc.2010.01.035
BindingDB Entry DOI: 10.7270/Q2S182M1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM29546
PNG
(benzimidazolone scaffold, 15d)
Show SMILES COc1ccccc1N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C21H26N4O2/c1-27-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)22-21(25)26/h2-5,7-10H,6,11-16H2,1H3,(H,22,26)
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3.40 -50.3n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
Imidazoline receptor 1 (I1R)


(Homo sapiens (Human))
BDBM50127590
PNG
(4-(4,5-Dihydro-1H-imidazol-2-yl)-3,4-dihydro-5-oxa...)
Show SMILES C1CN=C(N1)C1Cn2ccc3cccc(O1)c23
Show InChI InChI=1S/C13H13N3O/c1-2-9-4-7-16-8-11(13-14-5-6-15-13)17-10(3-1)12(9)16/h1-4,7,11H,5-6,8H2,(H,14,15)
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3.5n/an/an/an/an/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against imidazoline receptor I-1 from rabbit kidney preparation


J Med Chem 46: 1962-79 (2003)


Article DOI: 10.1021/jm021050c
BindingDB Entry DOI: 10.7270/Q22806Z1
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340326
PNG
(CHEMBL1760956 | N-(2-(3-iodo-6-methoxy-1H-pyrrolo[...)
Show SMILES COc1ccc2c(I)cn(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H14IN3O2/c1-8(17)14-5-6-16-7-10(13)9-3-4-11(18-2)15-12(9)16/h3-4,7H,5-6H2,1-2H3,(H,14,17)
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5n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139849
PNG
(CHEMBL3763537)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-23(11-12-24(28-25)30-2)31-26(21)22-15-17-7-3-4-8-18(17)19-9-5-6-10-20(19)22/h3-12,15H,13-14H2,1-2H3,(H,27,29)
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5n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50139848
PNG
(CHEMBL3764063)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-22(11-12-23(28-25)30-2)31-26(21)24-19-9-5-3-7-17(19)15-18-8-4-6-10-20(18)24/h3-12,15H,13-14H2,1-2H3,(H,27,29)
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5n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay


Eur J Med Chem 109: 268-75 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.008
BindingDB Entry DOI: 10.7270/Q2NC6318
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM29549
PNG
(benzimidazolone scaffold, 15g)
Show SMILES O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H28N4O/c27-22-23-20-11-5-6-12-21(20)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2,(H,23,27)
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6n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM29548
PNG
(benzimidazolone scaffold, 15f)
Show SMILES COc1ccccc1N1CCN(CCCCn2c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C22H28N4O2/c1-28-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-19-9-3-2-8-18(19)23-22(26)27/h2-5,8-11H,6-7,12-17H2,1H3,(H,23,27)
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6 -48.8n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50139355
PNG
(2-(6-Phenylpyridin-2-ylthio)-N,N-dimethylethan-ami...)
Show SMILES CN(C)CCSc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C15H18N2S/c1-17(2)11-12-18-15-10-6-9-14(16-15)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
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6.20n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cells


Bioorg Med Chem 18: 1958-67 (2010)


Article DOI: 10.1016/j.bmc.2010.01.035
BindingDB Entry DOI: 10.7270/Q2S182M1
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50135141
PNG
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)
Show SMILES Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
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6.30n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pneumocystis carinii DHFR expressed in Escherichia coli Rosetta Gami B (DE3) by spectrophotometric assay


Eur J Med Chem 95: 76-95 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.029
BindingDB Entry DOI: 10.7270/Q2PR7XP6
More data for this
Ligand-Target Pair
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