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Compile Data Set for Download or QSAR

Found 144 hits Enz. Inhib. hit(s) with Target = 'Melatonin' AND taxid = 9031   
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))
BDBM50118462
PNG
(2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-...)
Show SMILES COc1ccc2CC(=C(CCNC(=O)C(F)(F)F)c2c1)c1ccccc1
Show InChI InChI=1S/C20H18F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12H,9-11H2,1H3,(H,24,25)
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0.00602n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118435
PNG
(2,2,2-Trifluoro-N-[2-(6-methoxy-indan-1-yl)-ethyl]...)
Show SMILES COc1ccc2CC[C@@H](CCNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C14H16F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)/t10-/m0/s1
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0.0123n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118446
PNG
(2,2,2-Trifluoro-N-[2-(6-methoxy-indan-1-yl)-ethyl]...)
Show SMILES COc1ccc2CCC(CCNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C14H16F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)
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0.0225n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118456
PNG
(CHEMBL334645 | N-[2-(6-Methoxy-3H-inden-1-yl)-ethy...)
Show SMILES CCC(=O)NCCC1=CCc2ccc(OC)cc12
Show InChI InChI=1S/C15H19NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,17)
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0.0231n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118453
PNG
((S) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide ...)
Show SMILES CCCC(=O)NCC[C@@H]1CCc2ccc(OC)cc12
Show InChI InChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1
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0.0321n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118440
PNG
(2,2,2-Trifluoro-N-[2-(6-methoxy-3H-inden-1-yl)-eth...)
Show SMILES COc1ccc2CC=C(CCNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C14H14F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H,18,19)
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0.0408n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118430
PNG
((S) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-propionamid...)
Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc(OC)cc12
Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1
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0.0410n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118463
PNG
(2,2,2-Trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydro...)
Show SMILES COc1ccc2CCCC(CCNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C15H18F3NO2/c1-21-12-6-5-10-3-2-4-11(13(10)9-12)7-8-19-14(20)15(16,17)18/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,20)
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0.0469n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118450
PNG
(CHEMBL335437 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...)
Show SMILES CCCC(=O)NCCC1CCc2ccc(OC)cc12
Show InChI InChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)
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0.0553n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118458
PNG
(CHEMBL337837 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...)
Show SMILES CCC(=O)NCCC1CCc2ccc(OC)cc12
Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,17)
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0.0728n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118460
PNG
((S) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-acetamide |...)
Show SMILES COc1ccc2CC[C@@H](CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H19NO2/c1-10(16)15-8-7-12-4-3-11-5-6-13(17-2)9-14(11)12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,16)/t12-/m0/s1
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0.0733n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
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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0.0823n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
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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0.0915n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118436
PNG
(2,2,2-Trifluoro-N-[2-(6-methoxy-5-methyl-indan-1-y...)
Show SMILES COc1cc2C(CCNC(=O)C(F)(F)F)CCc2cc1C
Show InChI InChI=1S/C15H18F3NO2/c1-9-7-11-4-3-10(12(11)8-13(9)21-2)5-6-19-14(20)15(16,17)18/h7-8,10H,3-6H2,1-2H3,(H,19,20)
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0.0984n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118447
PNG
(CHEMBL134878 | N-[2-(6-Ethoxy-indan-1-yl)-ethyl]-p...)
Show SMILES CCOc1ccc2CCC(CCNC(=O)CC)c2c1
Show InChI InChI=1S/C16H23NO2/c1-3-16(18)17-10-9-13-6-5-12-7-8-14(19-4-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)
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0.100n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118441
PNG
(CHEMBL134171 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...)
Show SMILES COc1ccc2CCC(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H19NO2/c1-10(16)15-8-7-12-4-3-11-5-6-13(17-2)9-14(11)12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,15,16)
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0.131n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50286970
PNG
(CHEMBL11356 | N-[2-(3H-Benzo[f]chromen-10-yl)-ethy...)
Show SMILES CC(=O)NCCc1cccc2ccc3OCC=Cc3c12
Show InChI InChI=1S/C17H17NO2/c1-12(19)18-10-9-14-5-2-4-13-7-8-16-15(17(13)14)6-3-11-20-16/h2-8H,9-11H2,1H3,(H,18,19)
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0.137n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Citation and Details
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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0.140n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3534-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118438
PNG
((E) N-[2-(6-Methoxy-indan-1-ylidene)-ethyl]-propio...)
Show SMILES CCC(=O)NC\C=C1/CCc2ccc(OC)cc12
Show InChI InChI=1S/C15H19NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)/b12-8+
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0.208n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50286973
PNG
(CHEMBL274358 | N-[2-(2,3-Dihydro-1H-benzo[f]chrome...)
Show SMILES CC(=O)NCCc1cccc2ccc3OCCCc3c12
Show InChI InChI=1S/C17H19NO2/c1-12(19)18-10-9-14-5-2-4-13-7-8-16-15(17(13)14)6-3-11-20-16/h2,4-5,7-8H,3,6,9-11H2,1H3,(H,18,19)
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0.216n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118445
PNG
(CHEMBL134832 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...)
Show SMILES COc1ccc2CCC(CCNC(=O)C(C)C)c2c1
Show InChI InChI=1S/C16H23NO2/c1-11(2)16(18)17-9-8-13-5-4-12-6-7-14(19-3)10-15(12)13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,17,18)
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0.25n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50212943
PNG
(CHEMBL290895)
Show SMILES CCCC(=O)NC1CCCc2c1c1cc(OC)ccc1n2C
Show InChI InChI=1S/C18H24N2O2/c1-4-6-17(21)19-14-7-5-8-16-18(14)13-11-12(22-3)9-10-15(13)20(16)2/h9-11,14H,4-8H2,1-3H3,(H,19,21)
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0.378n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards melatonin receptor was determined using 2-[125I]iodomelatonin as radioligand in chick brain membranes


Citation and Details
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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0.410n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


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


Bioorg Med Chem Lett 24: 3534-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118452
PNG
(CHEMBL134933 | N-[2-(6-Propoxy-indan-1-yl)-ethyl]-...)
Show SMILES CCCOc1ccc2CCC(CCNC(=O)CC)c2c1
Show InChI InChI=1S/C17H25NO2/c1-3-11-20-15-8-7-13-5-6-14(16(13)12-15)9-10-18-17(19)4-2/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,18,19)
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0.425n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM50072651
PNG
(CHEMBL113859 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...)
Show SMILES CCC(=O)NCC1CCCc2ccc(OC)cc12
Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-10-12-6-4-5-11-7-8-13(18-2)9-14(11)12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)
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0.450n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00601-5
BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM50072660
PNG
(CHEMBL111866 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCC(=O)NCC1CCCc2ccc(OC)cc12
Show InChI InChI=1S/C16H23NO2/c1-3-5-16(18)17-11-13-7-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)
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0.450n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00601-5
BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118444
PNG
(2,2,2-Trifluoro-N-[3-(6-methoxy-indan-1-yl)-propyl...)
Show SMILES COc1ccc2CCC(CCCNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C15H18F3NO2/c1-21-12-7-6-11-5-4-10(13(11)9-12)3-2-8-19-14(20)15(16,17)18/h6-7,9-10H,2-5,8H2,1H3,(H,19,20)
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0.526n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Chick)
BDBM50072651
PNG
(CHEMBL113859 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...)
Show SMILES CCC(=O)NCC1CCCc2ccc(OC)cc12
Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-10-12-6-4-5-11-7-8-13(18-2)9-14(11)12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)
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0.530n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00601-5
BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM50037220
PNG
(1-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-pyrrolidin...)
Show SMILES COc1ccc2cccc(CCN3CCCC3=O)c2c1
Show InChI InChI=1S/C17H19NO2/c1-20-15-8-7-13-4-2-5-14(16(13)12-15)9-11-18-10-3-6-17(18)19/h2,4-5,7-8,12H,3,6,9-11H2,1H3
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0.540n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00601-5
BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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0.540n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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0.550n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
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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0.590n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards melatonin receptor using 2-[125I]iodomelatonin as radioligand in chick brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
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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0.590n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards melatonin receptor was determined using 2-[125I]iodomelatonin as radioligand in chick brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Melatonin


(Chick)
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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0.700n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00601-5
BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50286972
PNG
(CHEMBL11404 | N-(2-Naphtho[2,1-b]furan-9-yl-ethyl)...)
Show SMILES CC(=O)NCCc1cccc2ccc3occc3c12
Show InChI InChI=1S/C16H15NO2/c1-11(18)17-9-7-13-4-2-3-12-5-6-15-14(16(12)13)8-10-19-15/h2-6,8,10H,7,9H2,1H3,(H,17,18)
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0.780n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118437
PNG
((Z) N-[2-(6-Methoxy-indan-1-ylidene)-ethyl]-propio...)
Show SMILES CCC(=O)NC\C=C1\CCc2ccc(OC)cc12
Show InChI InChI=1S/C15H19NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)/b12-8-
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0.927n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50282765
PNG
(CHEMBL38728 | N-(6-Methoxy-9-methyl-2,3,4,9-tetrah...)
Show SMILES COc1ccc2n(C)c3CCCC(NC(C)=O)c3c2c1
Show InChI InChI=1S/C16H20N2O2/c1-10(19)17-13-5-4-6-15-16(13)12-9-11(20-3)7-8-14(12)18(15)2/h7-9,13H,4-6H2,1-3H3,(H,17,19)
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0.970n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards melatonin receptor was determined using 2-[125I]iodomelatonin as radioligand in chick brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM50072656
PNG
(CHEMBL111879 | N-(3-Methoxy-6,7,8,9-tetrahydro-5H-...)
Show SMILES CCCC(=O)NCC1CCCCc2ccc(OC)cc12
Show InChI InChI=1S/C17H25NO2/c1-3-6-17(19)18-12-14-8-5-4-7-13-9-10-15(20-2)11-16(13)14/h9-11,14H,3-8,12H2,1-2H3,(H,18,19)
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1n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00601-5
BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin


(Chick)
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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1.20n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin


(Chick)
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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1.21n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118459
PNG
(CHEMBL135366 | Pentanoic acid [2-(6-methoxy-indan-...)
Show SMILES CCCCC(=O)NCCC1CCc2ccc(OC)cc12
Show InChI InChI=1S/C17H25NO2/c1-3-4-5-17(19)18-11-10-14-7-6-13-8-9-15(20-2)12-16(13)14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,18,19)
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1.30n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50212924
PNG
(CHEMBL441966)
Show SMILES CCC(=O)NC1CCCc2c1c1cc(OC)ccc1n2C
Show InChI InChI=1S/C17H22N2O2/c1-4-16(20)18-13-6-5-7-15-17(13)12-10-11(21-3)8-9-14(12)19(15)2/h8-10,13H,4-7H2,1-3H3,(H,18,20)
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards melatonin receptor was determined using 2-[125I]iodomelatonin as radioligand in chick brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118439
PNG
(CHEMBL134875 | N-[2-(6-Isopropoxy-indan-1-yl)-ethy...)
Show SMILES CCC(=O)NCCC1CCc2ccc(OC(C)C)cc12
Show InChI InChI=1S/C17H25NO2/c1-4-17(19)18-10-9-14-6-5-13-7-8-15(11-16(13)14)20-12(2)3/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,18,19)
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1.5n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118451
PNG
(2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-indan-1-y...)
Show SMILES COc1ccc2CC(C(CCNC(=O)C(F)(F)F)c2c1)c1ccccc1
Show InChI InChI=1S/C20H20F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12,16-17H,9-11H2,1H3,(H,24,25)
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1.60n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50118434
PNG
(2,2,2-Trifluoro-N-[2-(3-methoxy-6,7,8,9-tetrahydro...)
Show SMILES COc1ccc2CCCCC(CCNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C16H20F3NO2/c1-22-13-7-6-11-4-2-3-5-12(14(11)10-13)8-9-20-15(21)16(17,18)19/h6-7,10,12H,2-5,8-9H2,1H3,(H,20,21)
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Article
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1.70n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


Article DOI: 10.1021/jm020114g
BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50212946
PNG
(CHEMBL288225)
Show SMILES COc1ccc2n(C)c3CCCC(NC(=O)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C16H17F3N2O2/c1-21-12-7-6-9(23-2)8-10(12)14-11(4-3-5-13(14)21)20-15(22)16(17,18)19/h6-8,11H,3-5H2,1-2H3,(H,20,22)
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards melatonin receptor was determined using 2-[125I]iodomelatonin as radioligand in chick brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50212920
PNG
(CHEMBL39187)
Show SMILES CCCC(=O)NCCc1c(Br)[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C14H16Br2N2O/c1-2-3-13(19)17-7-6-11-10-5-4-9(15)8-12(10)18-14(11)16/h4-5,8,18H,2-3,6-7H2,1H3,(H,17,19)
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2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards melatonin receptor using 2-[125I]iodomelatonin as radioligand in chick brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM50072652
PNG
(CHEMBL113244 | N-(6-Methoxy-indan-1-ylmethyl)-prop...)
Show SMILES CCC(=O)NCC1CCc2ccc(OC)cc12
Show InChI InChI=1S/C14H19NO2/c1-3-14(16)15-9-11-5-4-10-6-7-12(17-2)8-13(10)11/h6-8,11H,3-5,9H2,1-2H3,(H,15,16)
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3n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00601-5
BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM50072654
PNG
(CHEMBL113067 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...)
Show SMILES COc1ccc2CCCC(CNC(C)=O)c2c1
Show InChI InChI=1S/C14H19NO2/c1-10(16)15-9-12-5-3-4-11-6-7-13(17-2)8-14(11)12/h6-8,12H,3-5,9H2,1-2H3,(H,15,16)
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4n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


Article DOI: 10.1016/s0960-894x(98)00601-5
BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
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