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Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'panoussopoulou' and Initial = 'm'   
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))
BDBM50086013
PNG
(CHEMBL10009 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]i...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OC)cc12
Show InChI InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9-10-20(19)24-14-15-7-4-5-8-17(15)22(18)24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)
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0.0500n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086033
PNG
(CHEMBL9772 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]in...)
Show SMILES COc1ccc2n3Cc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H20N2O2/c1-13(23)21-10-9-17-18-11-15(24-2)7-8-19(18)22-12-14-5-3-4-6-16(14)20(17)22/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
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0.0600n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086017
PNG
(CHEMBL9997 | N-[2-(10-Methoxy-5,6-dihydro-indolo[2...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12
Show InChI InChI=1S/C22H24N2O2/c1-3-21(25)23-12-10-18-19-14-16(26-2)8-9-20(19)24-13-11-15-6-4-5-7-17(15)22(18)24/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)
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0.120n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086004
PNG
(CHEMBL9590 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]ind...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OCC)cc12
Show InChI InChI=1S/C23H26N2O2/c1-3-7-22(26)24-13-12-19-20-14-17(27-4-2)10-11-21(20)25-15-16-8-5-6-9-18(16)23(19)25/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3,(H,24,26)
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0.160n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086032
PNG
(CHEMBL274317 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OC)cc12
Show InChI InChI=1S/C21H22N2O2/c1-3-20(24)22-11-10-17-18-12-15(25-2)8-9-19(18)23-13-14-6-4-5-7-16(14)21(17)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)
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0.170n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086029
PNG
(CHEMBL10099 | N-[2-(10-Methoxy-5,6-dihydro-indolo[...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12
Show InChI InChI=1S/C23H26N2O2/c1-3-6-22(26)24-13-11-19-20-15-17(27-2)9-10-21(20)25-14-12-16-7-4-5-8-18(16)23(19)25/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,26)
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0.200n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086020
PNG
(CHEMBL274896 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]i...)
Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C21H22N2O2/c1-3-25-16-8-9-20-19(12-16)18(10-11-22-14(2)24)21-17-7-5-4-6-15(17)13-23(20)21/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)
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0.210n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086028
PNG
(CHEMBL9630 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]ind...)
Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)CC)c2c1
Show InChI InChI=1S/C22H24N2O2/c1-3-21(25)23-12-11-18-19-13-16(26-4-2)9-10-20(19)24-14-15-7-5-6-8-17(15)22(18)24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)
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0.260n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
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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0.330n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086001
PNG
(CHEMBL274438 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12
Show InChI InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,25,27)
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0.5n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086005
PNG
(CHEMBL274842 | N-[2-(10-Methoxy-5,6-dihydro-indolo...)
Show SMILES COc1ccc2n3CCc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C21H22N2O2/c1-14(24)22-11-9-18-19-13-16(25-2)7-8-20(19)23-12-10-15-5-3-4-6-17(15)21(18)23/h3-8,13H,9-12H2,1-2H3,(H,22,24)
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0.510n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
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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0.660n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086011
PNG
(CHEMBL10110 | Cyclopropanecarboxylic acid [2-(2-me...)
Show SMILES COc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C22H22N2O2/c1-26-16-8-9-20-19(12-16)18(10-11-23-22(25)14-6-7-14)21-17-5-3-2-4-15(17)13-24(20)21/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,23,25)
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0.950n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086025
PNG
(CHEMBL10293 | N-[2-(11-Methoxy-6,7-dihydro-5H-benz...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12
Show InChI InChI=1S/C23H26N2O2/c1-3-22(26)24-13-12-19-20-15-17(27-2)10-11-21(20)25-14-6-8-16-7-4-5-9-18(16)23(19)25/h4-5,7,9-11,15H,3,6,8,12-14H2,1-2H3,(H,24,26)
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1.41n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086033
PNG
(CHEMBL9772 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]in...)
Show SMILES COc1ccc2n3Cc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H20N2O2/c1-13(23)21-10-9-17-18-11-15(24-2)7-8-19(18)22-12-14-5-3-4-6-16(14)20(17)22/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
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1.82n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086015
PNG
(CHEMBL9605 | N-[2-(5,6-Dihydro-indolo[2,1-a]isoqui...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-2-7-21(25)23-14-12-19-18-10-5-6-11-20(18)24-15-13-16-8-3-4-9-17(16)22(19)24/h3-6,8-11H,2,7,12-15H2,1H3,(H,23,25)
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3.70n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086029
PNG
(CHEMBL10099 | N-[2-(10-Methoxy-5,6-dihydro-indolo[...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12
Show InChI InChI=1S/C23H26N2O2/c1-3-6-22(26)24-13-11-19-20-15-17(27-2)9-10-21(20)25-14-12-16-7-4-5-8-18(16)23(19)25/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,26)
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4.07n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086032
PNG
(CHEMBL274317 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OC)cc12
Show InChI InChI=1S/C21H22N2O2/c1-3-20(24)22-11-10-17-18-12-15(25-2)8-9-19(18)23-13-14-6-4-5-7-16(14)21(17)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)
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4.37n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086013
PNG
(CHEMBL10009 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]i...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OC)cc12
Show InChI InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9-10-20(19)24-14-15-7-4-5-8-17(15)22(18)24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)
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4.47n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086021
PNG
(CHEMBL274630 | N-[2-(11-Chloro-6,7-dihydro-5H-benz...)
Show SMILES CC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(Cl)cc12
Show InChI InChI=1S/C21H21ClN2O/c1-14(25)23-11-10-18-19-13-16(22)8-9-20(19)24-12-4-6-15-5-2-3-7-17(15)21(18)24/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,23,25)
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5.01n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086026
PNG
(CHEMBL9600 | Cyclopropanecarboxylic acid [2-(2-eth...)
Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C23H24N2O2/c1-2-27-17-9-10-21-20(13-17)19(11-12-24-23(26)15-7-8-15)22-18-6-4-3-5-16(18)14-25(21)22/h3-6,9-10,13,15H,2,7-8,11-12,14H2,1H3,(H,24,26)
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5.5n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086017
PNG
(CHEMBL9997 | N-[2-(10-Methoxy-5,6-dihydro-indolo[2...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12
Show InChI InChI=1S/C22H24N2O2/c1-3-21(25)23-12-10-18-19-14-16(26-2)8-9-20(19)24-13-11-15-6-4-5-7-17(15)22(18)24/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)
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5.89n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086022
PNG
(CHEMBL275529 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...)
Show SMILES COc1ccc2n3CCCc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C22H24N2O2/c1-15(25)23-12-11-19-20-14-17(26-2)9-10-21(20)24-13-5-7-16-6-3-4-8-18(16)22(19)24/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,23,25)
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6.31n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086014
PNG
(CHEMBL10007 | N-[2-(11-Ethoxy-6,7-dihydro-5H-benzo...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OCC)cc12
Show InChI InChI=1S/C25H30N2O2/c1-3-8-24(28)26-15-14-21-22-17-19(29-4-2)12-13-23(22)27-16-7-10-18-9-5-6-11-20(18)25(21)27/h5-6,9,11-13,17H,3-4,7-8,10,14-16H2,1-2H3,(H,26,28)
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6.46n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086005
PNG
(CHEMBL274842 | N-[2-(10-Methoxy-5,6-dihydro-indolo...)
Show SMILES COc1ccc2n3CCc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C21H22N2O2/c1-14(24)22-11-9-18-19-13-16(25-2)7-8-20(19)23-12-10-15-5-3-4-6-17(15)21(18)23/h3-8,13H,9-12H2,1-2H3,(H,22,24)
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7.24n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086004
PNG
(CHEMBL9590 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]ind...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OCC)cc12
Show InChI InChI=1S/C23H26N2O2/c1-3-7-22(26)24-13-12-19-20-14-17(27-4-2)10-11-21(20)25-15-16-8-5-6-9-18(16)23(19)25/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3,(H,24,26)
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8.91n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086008
PNG
(CHEMBL273897 | N-[2-(5,6-Dihydro-indolo[2,1-a]isoq...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCn2c2ccccc12
Show InChI InChI=1S/C21H22N2O/c1-2-20(24)22-13-11-18-17-9-5-6-10-19(17)23-14-12-15-7-3-4-8-16(15)21(18)23/h3-10H,2,11-14H2,1H3,(H,22,24)
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9.33n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086035
PNG
(CHEMBL10124 | Cyclopropanecarboxylic acid [2-(11-m...)
Show SMILES COc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C24H26N2O2/c1-28-18-10-11-22-21(15-18)20(12-13-25-24(27)17-8-9-17)23-19-7-3-2-5-16(19)6-4-14-26(22)23/h2-3,5,7,10-11,15,17H,4,6,8-9,12-14H2,1H3,(H,25,27)
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12n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086010
PNG
(CHEMBL10328 | N-[2-(6H-Isoindolo[2,1-a]indol-11-yl...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccccc12
Show InChI InChI=1S/C21H22N2O/c1-2-7-20(24)22-13-12-18-17-10-5-6-11-19(17)23-14-15-8-3-4-9-16(15)21(18)23/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24)
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12n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086028
PNG
(CHEMBL9630 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]ind...)
Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)CC)c2c1
Show InChI InChI=1S/C22H24N2O2/c1-3-21(25)23-12-11-18-19-13-16(26-4-2)9-10-20(19)24-14-15-7-5-6-8-17(15)22(18)24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)
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14.5n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086019
PNG
(CHEMBL9765 | N-[2-(6H-Isoindolo[2,1-a]indol-11-yl)...)
Show SMILES CC(=O)NCCc1c2-c3ccccc3Cn2c2ccccc12
Show InChI InChI=1S/C19H18N2O/c1-13(22)20-11-10-17-16-8-4-5-9-18(16)21-12-14-6-2-3-7-15(14)19(17)21/h2-9H,10-12H2,1H3,(H,20,22)
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17n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086009
PNG
(CHEMBL269175 | N-[2-(6H-Isoindolo[2,1-a]indol-11-y...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3Cn2c2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-2-19(23)21-12-11-17-16-9-5-6-10-18(16)22-13-14-7-3-4-8-15(14)20(17)22/h3-10H,2,11-13H2,1H3,(H,21,23)
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17.4n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086020
PNG
(CHEMBL274896 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]i...)
Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C21H22N2O2/c1-3-25-16-8-9-20-19(12-16)18(10-11-22-14(2)24)21-17-7-5-4-6-15(17)13-23(20)21/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)
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18.2n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086000
PNG
(CHEMBL276005 | N-[2-(11-Ethoxy-6,7-dihydro-5H-benz...)
Show SMILES CCOc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)CC)c2c1
Show InChI InChI=1S/C24H28N2O2/c1-3-23(27)25-14-13-20-21-16-18(28-4-2)11-12-22(21)26-15-7-9-17-8-5-6-10-19(17)24(20)26/h5-6,8,10-12,16H,3-4,7,9,13-15H2,1-2H3,(H,25,27)
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21.9n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086007
PNG
(CHEMBL9917 | Cyclobutanecarboxylic acid [2-(11-met...)
Show SMILES COc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)C3CCC3)c2c1
Show InChI InChI=1S/C25H28N2O2/c1-29-19-11-12-23-22(16-19)21(13-14-26-25(28)18-7-4-8-18)24-20-10-3-2-6-17(20)9-5-15-27(23)24/h2-3,6,10-12,16,18H,4-5,7-9,13-15H2,1H3,(H,26,28)
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31.6n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086034
PNG
(CHEMBL273624 | N-[2-(2-Chloro-6H-isoindolo[2,1-a]i...)
Show SMILES CC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(Cl)cc12
Show InChI InChI=1S/C19H17ClN2O/c1-12(23)21-9-8-16-17-10-14(20)6-7-18(17)22-11-13-4-2-3-5-15(13)19(16)22/h2-7,10H,8-9,11H2,1H3,(H,21,23)
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33.9n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086036
PNG
(CHEMBL9634 | N-[2-(5,6-Dihydro-indolo[2,1-a]isoqui...)
Show SMILES CC(=O)NCCc1c2-c3ccccc3CCn2c2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-14(23)21-12-10-18-17-8-4-5-9-19(17)22-13-11-15-6-2-3-7-16(15)20(18)22/h2-9H,10-13H2,1H3,(H,21,23)
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36.3n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85065
PNG
(CAS_117946-91-5 | Luzindole | NSC_122162)
Show SMILES CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
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44.7n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086003
PNG
(CHEMBL9838 | N-[2-(6,7-Dihydro-5H-benzo[3,4]azepin...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-2-21(25)23-14-13-19-18-11-5-6-12-20(18)24-15-7-9-16-8-3-4-10-17(16)22(19)24/h3-6,8,10-12H,2,7,9,13-15H2,1H3,(H,23,25)
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45.7n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086011
PNG
(CHEMBL10110 | Cyclopropanecarboxylic acid [2-(2-me...)
Show SMILES COc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C22H22N2O2/c1-26-16-8-9-20-19(12-16)18(10-11-23-22(25)14-6-7-14)21-17-5-3-2-4-15(17)13-24(20)21/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,23,25)
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46.8n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086025
PNG
(CHEMBL10293 | N-[2-(11-Methoxy-6,7-dihydro-5H-benz...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12
Show InChI InChI=1S/C23H26N2O2/c1-3-22(26)24-13-12-19-20-15-17(27-2)10-11-21(20)25-14-6-8-16-7-4-5-9-18(16)23(19)25/h4-5,7,9-11,15H,3,6,8,12-14H2,1-2H3,(H,24,26)
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52.5n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086018
PNG
(CHEMBL9791 | Cyclopropanecarboxylic acid [2-(6,7-d...)
Show SMILES O=C(NCCc1c2-c3ccccc3CCCn2c2ccccc12)C1CC1
Show InChI InChI=1S/C23H24N2O/c26-23(17-11-12-17)24-14-13-20-19-9-3-4-10-21(19)25-15-5-7-16-6-1-2-8-18(16)22(20)25/h1-4,6,8-10,17H,5,7,11-15H2,(H,24,26)
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52.5n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086024
PNG
(CHEMBL9815 | N-[2-(6,7-Dihydro-5H-benzo[3,4]azepin...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccccc12
Show InChI InChI=1S/C23H26N2O/c1-2-8-22(26)24-15-14-20-19-12-5-6-13-21(19)25-16-7-10-17-9-3-4-11-18(17)23(20)25/h3-6,9,11-13H,2,7-8,10,14-16H2,1H3,(H,24,26)
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63.1n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086001
PNG
(CHEMBL274438 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12
Show InChI InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,25,27)
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66.1n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086015
PNG
(CHEMBL9605 | N-[2-(5,6-Dihydro-indolo[2,1-a]isoqui...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-2-7-21(25)23-14-12-19-18-10-5-6-11-20(18)24-15-13-16-8-3-4-9-17(16)22(19)24/h3-6,8-11H,2,7,12-15H2,1H3,(H,23,25)
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70.8n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086024
PNG
(CHEMBL9815 | N-[2-(6,7-Dihydro-5H-benzo[3,4]azepin...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccccc12
Show InChI InChI=1S/C23H26N2O/c1-2-8-22(26)24-15-14-20-19-12-5-6-13-21(19)25-16-7-10-17-9-3-4-11-18(17)23(20)25/h3-6,9,11-13H,2,7-8,10,14-16H2,1H3,(H,24,26)
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79.4n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086030
PNG
(CHEMBL9935 | Cyclopropanecarboxylic acid [2-(11-et...)
Show SMILES CCOc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C25H28N2O2/c1-2-29-19-11-12-23-22(16-19)21(13-14-26-25(28)18-9-10-18)24-20-8-4-3-6-17(20)7-5-15-27(23)24/h3-4,6,8,11-12,16,18H,2,5,7,9-10,13-15H2,1H3,(H,26,28)
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85.1n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086003
PNG
(CHEMBL9838 | N-[2-(6,7-Dihydro-5H-benzo[3,4]azepin...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccccc12
Show InChI InChI=1S/C22H24N2O/c1-2-21(25)23-14-13-19-18-11-5-6-12-20(18)24-15-7-9-16-8-3-4-10-17(16)22(19)24/h3-6,8,10-12H,2,7,9,13-15H2,1H3,(H,23,25)
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115n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086016
PNG
(CHEMBL274995 | N-[2-(11-Ethoxy-6,7-dihydro-5H-benz...)
Show SMILES CCOc1ccc2n3CCCc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C23H26N2O2/c1-3-27-18-10-11-22-21(15-18)20(12-13-24-16(2)26)23-19-9-5-4-7-17(19)8-6-14-25(22)23/h4-5,7,9-11,15H,3,6,8,12-14H2,1-2H3,(H,24,26)
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117n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086018
PNG
(CHEMBL9791 | Cyclopropanecarboxylic acid [2-(6,7-d...)
Show SMILES O=C(NCCc1c2-c3ccccc3CCCn2c2ccccc12)C1CC1
Show InChI InChI=1S/C23H24N2O/c26-23(17-11-12-17)24-14-13-20-19-9-3-4-10-21(19)25-15-5-7-16-6-1-2-8-18(16)22(20)25/h1-4,6,8-10,17H,5,7,11-15H2,(H,24,26)
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117n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
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