Compile Data Set for Download or QSAR

Found 339 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' AND taxid = 9986   

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))	BDBM50118462 (2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-...) Show SMILES COc1ccc2CC(=C(CCNC(=O)C(F)(F)F)c2c1)c1ccccc1 |t:7| 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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.00602	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118435 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471125 (CHEMBL433237) Show SMILES CCC(=O)NCCn1c(cc2ccc(OC)cc12)-c1ccccc1 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid 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))	BDBM50471134 (CHEMBL64664) Show SMILES CCC(=O)NCCn1c(cc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C19H20N2O/c1-2-19(22)20-12-13-21-17-11-7-6-10-16(17)14-18(21)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from melatonin receptor (unknown origin)				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					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 SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	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/1B (Homo sapiens (Human))	BDBM50034110 (CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...) Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	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))	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Urbino Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/Ka				J Med Chem 36: 4069-74 (1993) Article DOI: 10.1021/jm00077a010 BindingDB Entry DOI: 10.7270/Q2KP84VP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118446 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118456 (CHEMBL334645 | N-[2-(6-Methoxy-3H-inden-1-yl)-ethy...) Show SMILES CCC(=O)NCCC1=CCc2ccc(OC)cc12 |t:7| 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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118453 ((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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0321	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					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 SMILES COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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 SMILES COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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))	BDBM50118440 (2,2,2-Trifluoro-N-[2-(6-methoxy-3H-inden-1-yl)-eth...) Show SMILES COc1ccc2CC=C(CCNC(=O)C(F)(F)F)c2c1 |t:7| 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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0408	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118430 ((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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471136 (CHEMBL33006) Show SMILES CCC(=O)NCCn1c(Br)cc2ccc(OC)cc12 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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 1A/1B (Homo sapiens (Human))	BDBM50506044 (CHEMBL4531537) Show SMILES CCC(=O)NCCn1c(Br)cc2ccccc12 Show InChI InChI=1S/C13H15BrN2O/c1-2-13(17)15-7-8-16-11-6-4-3-5-10(11)9-12(16)14/h3-6,9H,2,7-8H2,1H3,(H,15,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from melatonin receptor (unknown origin)				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118463 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118450 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0553	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					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 SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Urbino Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/Ka				J Med Chem 36: 4069-74 (1993) Article DOI: 10.1021/jm00077a010 BindingDB Entry DOI: 10.7270/Q2KP84VP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50043287 (CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...) Show SMILES COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Urbino Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/Ka				J Med Chem 36: 4069-74 (1993) Article DOI: 10.1021/jm00077a010 BindingDB Entry DOI: 10.7270/Q2KP84VP
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118458 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0728	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118460 ((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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0733	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM9019 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.0823	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM9019 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank	0.0915	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN18CT
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118436 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0984	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50035179 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN18CT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118447 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B/1C (Gallus gallus-Chick)	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranes				J Med Chem 36: 2891-8 (1993) Article DOI: 10.1021/jm00072a008 BindingDB Entry DOI: 10.7270/Q2HT2RJK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118441 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50286970 (CHEMBL11356 | N-[2-(3H-Benzo[f]chromen-10-yl)-ethy...) Show SMILES CC(=O)NCCc1cccc2ccc3OCC=Cc3c12 |c:16| 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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		0.137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN18CT
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM9019 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 type 1A/1B (Homo sapiens (Human))	BDBM50471833 (CHEMBL127337) Show SMILES COc1cc2c(CCNC(C)=O)c(Br)[nH]c2cc1Br Show InChI InChI=1S/C13H14Br2N2O2/c1-7(18)16-4-3-8-9-5-12(19-2)10(14)6-11(9)17-13(8)15/h5-6,17H,3-4H2,1-2H3,(H,16,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.176	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 Melatonin receptor using 2-[125I]iodomelatonin as radioligand				J Med Chem 41: 3831-44 (1998) Article DOI: 10.1021/jm9810093 BindingDB Entry DOI: 10.7270/Q2ZC85M8
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118438 ((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+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50469786 (CHEMBL341392) Show SMILES COc1ccc2[nH]c(Br)c(CCNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C15H17BrN2O2/c1-20-10-4-5-13-12(8-10)11(14(16)18-13)6-7-17-15(19)9-2-3-9/h4-5,8-9,18H,2-3,6-7H2,1H3,(H,17,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Urbino Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/Ka				J Med Chem 36: 4069-74 (1993) Article DOI: 10.1021/jm00077a010 BindingDB Entry DOI: 10.7270/Q2KP84VP
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50286973 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		0.216	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA				Citation and Details BindingDB Entry DOI: 10.7270/Q2FN18CT
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50506045 (CHEMBL4475742) Show SMILES CCC(=O)NCCn1c(cc2ccccc12)C(=O)OC Show InChI InChI=1S/C15H18N2O3/c1-3-14(18)16-8-9-17-12-7-5-4-6-11(12)10-13(17)15(19)20-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from melatonin receptor (unknown origin)				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471127 (CHEMBL62088) Show SMILES CCC(=O)NCCn1c(cc2ccc(OC)cc12)C(=O)OC 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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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 1A/1B/1C (Gallus gallus-Chick)	BDBM50231291 (CHEMBL421013) Show SMILES COc1cc2c(CCNC(C)=O)c(C)[nH]c2c(Cl)c1Cl Show InChI InChI=1S/C14H16Cl2N2O2/c1-7-9(4-5-17-8(2)19)10-6-11(20-3)12(15)13(16)14(10)18-7/h6,18H,4-5H2,1-3H3,(H,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranes				J Med Chem 36: 2891-8 (1993) Article DOI: 10.1021/jm00072a008 BindingDB Entry DOI: 10.7270/Q2HT2RJK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50469784 (CHEMBL14975) Show SMILES COc1ccc2[nH]c(c(CCNC(=O)C3CC3)c2c1)-c1ccccc1 Show InChI InChI=1S/C21H22N2O2/c1-25-16-9-10-19-18(13-16)17(11-12-22-21(24)15-7-8-15)20(23-19)14-5-3-2-4-6-14/h2-6,9-10,13,15,23H,7-8,11-12H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Urbino Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/Ka				J Med Chem 36: 4069-74 (1993) Article DOI: 10.1021/jm00077a010 BindingDB Entry DOI: 10.7270/Q2KP84VP
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118445 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B/1C (Gallus gallus-Chick)	BDBM50231307 (CHEMBL34622) Show SMILES CCC(=O)NCCc1c[nH]c2ccc(OC)cc12 Show InChI InChI=1S/C14H18N2O2/c1-3-14(17)15-7-6-10-9-16-13-5-4-11(18-2)8-12(10)13/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranes				J Med Chem 36: 2891-8 (1993) Article DOI: 10.1021/jm00072a008 BindingDB Entry DOI: 10.7270/Q2HT2RJK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B/1C (Gallus gallus-Chick)	BDBM50043289 (CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl 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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranes				J Med Chem 36: 2891-8 (1993) Article DOI: 10.1021/jm00072a008 BindingDB Entry DOI: 10.7270/Q2HT2RJK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471112 (CHEMBL61991) Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H18N2O2/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/h3-12,21H,1-2H3,(H,20,22)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	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))	BDBM9019 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 type 1A/1B (Homo sapiens (Human))	BDBM50118452 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50469787 (CHEMBL127069) Show SMILES COc1ccc2[nH]c(C)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H18N2O2/c1-9-12(6-7-15-10(2)17)13-8-11(18-3)4-5-14(13)16-9/h4-5,8,16H,6-7H2,1-3H3,(H,15,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Urbino Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/Ka				J Med Chem 36: 4069-74 (1993) Article DOI: 10.1021/jm00077a010 BindingDB Entry DOI: 10.7270/Q2KP84VP
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471119 (CHEMBL61380) Show SMILES CCOC(=O)c1[nH]c2ccc(OC)c3CCC(CNC(C)=O)c1c23 Show InChI InChI=1S/C18H22N2O4/c1-4-24-18(22)17-15-11(9-19-10(2)21)5-6-12-14(23-3)8-7-13(20-17)16(12)15/h7-8,11,20H,4-6,9H2,1-3H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	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))	BDBM50118444 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.526	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B/1C (Gallus gallus-Chick)	BDBM9019 (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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranes				J Med Chem 36: 2891-8 (1993) Article DOI: 10.1021/jm00072a008 BindingDB Entry DOI: 10.7270/Q2HT2RJK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM9019 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.610	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

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