Found 16150 hits with Last Name = 'pan' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50471125
(CHEMBL433237)Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-11-12-22-18(15-7-5-4-6-8-15)13-16-9-10-17(24-2)14-19(16)22/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,23) | PDB
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| PC cid
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UniChem
| Article
PubMed
| 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand |
J Med Chem 40: 2003-10 (1997)
Article DOI: 10.1021/jm960653j
BindingDB Entry DOI: 10.7270/Q2CR5X2K |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50034110
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22) | PDB
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| PDB
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| 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand |
J Med Chem 40: 1990-2002 (1997)
Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50034110
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22) | PDB
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| 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand |
J Med Chem 40: 2003-10 (1997)
Article DOI: 10.1021/jm960653j
BindingDB Entry DOI: 10.7270/Q2CR5X2K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50034110
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22) | PDB
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| PDB
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| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; degli Studi di Milano
Curated by PDSP Ki Database
| |
Br J Pharmacol 124: 485-92 (1998)
Article DOI: 10.1038/sj.bjp.0701860
BindingDB Entry DOI: 10.7270/Q29885KW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50043287
(CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...)Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
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| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; degli Studi di Milano
Curated by PDSP Ki Database
| |
Br J Pharmacol 124: 485-92 (1998)
Article DOI: 10.1038/sj.bjp.0701860
BindingDB Entry DOI: 10.7270/Q29885KW |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50477319
(CHEMBL394273)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) | PDB
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| 0.0275 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50034110
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22) | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&agrove; degli Studi di Milano
Curated by PDSP Ki Database
| |
Br J Pharmacol 127: 1288-94 (1999)
Article DOI: 10.1038/sj.bjp.0702658
BindingDB Entry DOI: 10.7270/Q20G3HQ6 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50043287
(CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...)Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
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| 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand |
J Med Chem 40: 2003-10 (1997)
Article DOI: 10.1021/jm960653j
BindingDB Entry DOI: 10.7270/Q2CR5X2K |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50043287
(CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...)Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
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| 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand |
J Med Chem 40: 1990-2002 (1997)
Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50471136
(CHEMBL33006)Show InChI InChI=1S/C14H17BrN2O2/c1-3-14(18)16-6-7-17-12-9-11(19-2)5-4-10(12)8-13(17)15/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18) | PDB
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| PC cid
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| 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand |
J Med Chem 40: 2003-10 (1997)
Article DOI: 10.1021/jm960653j
BindingDB Entry DOI: 10.7270/Q2CR5X2K |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&agrove; degli Studi di Milano
Curated by PDSP Ki Database
| |
Br J Pharmacol 127: 1288-94 (1999)
Article DOI: 10.1038/sj.bjp.0702658
BindingDB Entry DOI: 10.7270/Q20G3HQ6 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50086013
(CHEMBL10009 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]i...)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) | PDB
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 type 1B
(Homo sapiens (Human)) | BDBM50086033
(CHEMBL9772 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]in...)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) | PDB
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| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1 | PDB
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| Article
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| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California - Irvine
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain homogenate by scintillation counting |
Bioorg Med Chem Lett 22: 7610-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.012
BindingDB Entry DOI: 10.7270/Q20V8GNK |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50477320
(CHEMBL235327)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) | PDB
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| PC cid
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| 0.0661 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine protease hepsin
(Homo sapiens (Human)) | BDBM50518599
(CHEMBL4454016)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C32H50N10O6S/c1-18(2)17-24(41-29(47)23(13-14-26(34)44)40-28(46)22(38-19(3)43)10-6-7-15-33)30(48)39-21(11-8-16-37-32(35)36)27(45)31-42-20-9-4-5-12-25(20)49-31/h4-5,9,12,18,21-24H,6-8,10-11,13-17,33H2,1-3H3,(H2,34,44)(H,38,43)(H,39,48)(H,40,46)(H,41,47)(H4,35,36,37)/t21-,22-,23-,24-/m0/s1 | PDB
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a... |
J Med Chem 62: 480-490 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50248926
(3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...)Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2 | PDB
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| 0.0980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Trieste
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting |
J Med Chem 52: 5380-93 (2009)
Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50477318
(CHEMBL279401)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) | PDB
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| 0.105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50043287
(CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...)Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
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| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&agrove; degli Studi di Milano
Curated by PDSP Ki Database
| |
Br J Pharmacol 127: 1288-94 (1999)
Article DOI: 10.1038/sj.bjp.0702658
BindingDB Entry DOI: 10.7270/Q20G3HQ6 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50477315
(CHEMBL237234)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) | PDB
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| 0.112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50086017
(CHEMBL9997 | N-[2-(10-Methoxy-5,6-dihydro-indolo[2...)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) | PDB
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50518590
(CHEMBL4548036)Show SMILES NC(=N)NCCC[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N6O4S/c31-29(32)33-15-7-13-24(27(38)28-36-23-12-5-6-14-25(23)41-28)35-26(37)16-34-30(39)40-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-6,8-12,14,22,24H,7,13,15-17H2,(H,34,39)(H,35,37)(H4,31,32,33)/t24-/m0/s1 | PDB
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| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by... |
J Med Chem 62: 480-490 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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| DrugBank
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| 0.141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50086004
(CHEMBL9590 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]ind...)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) | PDB
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| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serine protease hepsin
(Homo sapiens (Human)) | BDBM50518598
(CHEMBL4540950)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H47N9O6S/c1-17(2)15-22(38-26(43)21(10-6-7-13-31)37-28(45)23(16-40)35-18(3)41)27(44)36-20(11-8-14-34-30(32)33)25(42)29-39-19-9-4-5-12-24(19)46-29/h4-5,9,12,17,20-23,40H,6-8,10-11,13-16,31H2,1-3H3,(H,35,41)(H,36,44)(H,37,45)(H,38,43)(H4,32,33,34)/t20-,21-,22-,23-/m0/s1 | PDB
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| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a... |
J Med Chem 62: 480-490 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50240952
((4-Methoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-...)Show InChI InChI=1S/C20H23NO2/c1-3-20(22)21-13-17-11-15-7-5-4-6-14(15)10-16-8-9-18(23-2)12-19(16)17/h4-9,12,17H,3,10-11,13H2,1-2H3,(H,21,22) | PDB
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| 0.162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells |
J Med Chem 47: 4202-12 (2004)
Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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| 0.166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Binding Affinity (pKi) towards human Melatonin receptor type 1A |
J Med Chem 46: 1429-39 (2003)
Article DOI: 10.1021/jm020982d
BindingDB Entry DOI: 10.7270/Q2DN47T2 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50086032
(CHEMBL274317 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]...)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) | PDB
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| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50032697
(CHEMBL3354675)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C33H46N12O6S/c34-20(5-3-15-40-32(36)37)28(49)43-23(13-14-26(35)47)29(50)44-24(17-18-9-11-19(46)12-10-18)30(51)42-22(7-4-16-41-33(38)39)27(48)31-45-21-6-1-2-8-25(21)52-31/h1-2,6,8-12,20,22-24,46H,3-5,7,13-17,34H2,(H2,35,47)(H,42,51)(H,43,49)(H,44,50)(H4,36,37,40)(H4,38,39,41)/t20-,22-,23-,24-/m0/s1 | PDB
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| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
J Med Chem 62: 480-490 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50477309
(CHEMBL235328)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) | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Urbino Carlo Bo
Curated by ChEMBL
| Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells |
Bioorg Med Chem 15: 4643-50 (2007)
Article DOI: 10.1016/j.bmc.2007.03.080
BindingDB Entry DOI: 10.7270/Q2BZ65Q4 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50086029
(CHEMBL10099 | N-[2-(10-Methoxy-5,6-dihydro-indolo[...)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) | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 type 1B
(Homo sapiens (Human)) | BDBM50086020
(CHEMBL274896 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]i...)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) | PDB
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50518597
(CHEMBL4469801)Show SMILES NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H39N7O4S/c35-18-8-7-15-28(41-34(44)45-20-25-23-12-3-1-10-21(23)22-11-2-4-13-24(22)25)31(43)39-27(16-9-19-38-33(36)37)30(42)32-40-26-14-5-6-17-29(26)46-32/h1-6,10-14,17,25,27-28H,7-9,15-16,18-20,35H2,(H,39,43)(H,41,44)(H4,36,37,38)/t27-,28-/m0/s1 | PDB
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| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by... |
J Med Chem 62: 480-490 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01536
BindingDB Entry DOI: 10.7270/Q2D50RBN |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50043289
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17) | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&agrove; degli Studi di Milano
Curated by PDSP Ki Database
| |
Br J Pharmacol 127: 1288-94 (1999)
Article DOI: 10.1038/sj.bjp.0702658
BindingDB Entry DOI: 10.7270/Q20G3HQ6 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50471127
(CHEMBL62088)Show InChI InChI=1S/C16H20N2O4/c1-4-15(19)17-7-8-18-13-10-12(21-2)6-5-11(13)9-14(18)16(20)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19) | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand |
J Med Chem 40: 2003-10 (1997)
Article DOI: 10.1021/jm960653j
BindingDB Entry DOI: 10.7270/Q2CR5X2K |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50475069
(CHEMBL189395)Show InChI InChI=1S/C21H25NO2/c1-3-6-21(23)22-14-18-12-16-8-5-4-7-15(16)11-17-9-10-19(24-2)13-20(17)18/h4-5,7-10,13,18H,3,6,11-12,14H2,1-2H3,(H,22,23) | PDB
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| 0.245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells |
J Med Chem 47: 4202-12 (2004)
Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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Article
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&agrove; degli Studi di Milano
Curated by PDSP Ki Database
| |
Br J Pharmacol 127: 1288-94 (1999)
Article DOI: 10.1038/sj.bjp.0702658
BindingDB Entry DOI: 10.7270/Q20G3HQ6 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50086028
(CHEMBL9630 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]ind...)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) | PDB
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 type 1A
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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PubMed
| 0.263 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino Carlo Bo
Curated by ChEMBL
| Assay Description
Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane |
Bioorg Med Chem 19: 4910-6 (2011)
Article DOI: 10.1016/j.bmc.2011.06.063
BindingDB Entry DOI: 10.7270/Q26T0NW8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50486116
(Niodene)Show InChI InChI=1S/C10H11IN2O/c11-8-4-10(6-12-5-8)14-7-9-2-1-3-13-9/h1-2,4-6,9,13H,3,7H2/t9-/m0/s1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California - Irvine
Curated by ChEMBL
| Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in Sprague-Dawley rat brain homogenate after 75 mins by scintillation counting |
Bioorg Med Chem Lett 22: 7610-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.012
BindingDB Entry DOI: 10.7270/Q20V8GNK |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420298
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea... |
Science 374: 1-13 (2021)
BindingDB Entry DOI: 10.7270/Q23T9MCM |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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PubMed
| 0.282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells |
J Med Chem 47: 4202-12 (2004)
Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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| 0.282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin |
J Med Chem 44: 2900-12 (2001)
Article DOI: 10.1021/jm001125h
BindingDB Entry DOI: 10.7270/Q2QC067J |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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| 0.288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description
Binding affinity for human recombinant Melatonin receptor type 1 expressed in NIH3T3 cells |
J Med Chem 47: 4202-12 (2004)
Article DOI: 10.1021/jm040768k
BindingDB Entry DOI: 10.7270/Q24170V2 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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| 0.288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino
Curated by ChEMBL
| Assay Description
Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga... |
J Med Chem 44: 2900-12 (2001)
Article DOI: 10.1021/jm001125h
BindingDB Entry DOI: 10.7270/Q2QC067J |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit&aagrove; degli Studi di Milano
Curated by PDSP Ki Database
| |
Br J Pharmacol 124: 485-92 (1998)
Article DOI: 10.1038/sj.bjp.0701860
BindingDB Entry DOI: 10.7270/Q29885KW |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM85372
(CAS_121-75-5 | MLT | Malathion)Show InChI InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3 | PDB
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Milano
Curated by PDSP Ki Database
| |
J Med Chem 41: 3624-34 (1998)
Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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) | PDB
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| 0.295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma
Curated by ChEMBL
| Assay Description
Binding Affinity (pKi) towards human Melatonin receptor type 1B |
J Med Chem 46: 1429-39 (2003)
Article DOI: 10.1021/jm020982d
BindingDB Entry DOI: 10.7270/Q2DN47T2 |
More data for this
Ligand-Target Pair | |
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