Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50042386   

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 (Homo sapiens (Human))	BDBM50425202 (CHEMBL2314259) Show SMILES COc1ccc2ccc(OC)c(\C=C\NC(C)=O)c2c1 Show InChI InChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425203 (CHEMBL2314255) Show SMILES COc1ccc2cccc(\C=C\NC(C)=O)c2c1 Show InChI InChI=1S/C15H15NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-10H,1-2H3,(H,16,17)/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425203 (CHEMBL2314255) Show SMILES COc1ccc2cccc(\C=C\NC(C)=O)c2c1 Show InChI InChI=1S/C15H15NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-10H,1-2H3,(H,16,17)/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425200 (CHEMBL2314253) Show SMILES COc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1 |r| Show InChI InChI=1S/C17H19NO3/c1-10(19)18-15-9-14(15)17-13-8-12(20-2)6-4-11(13)5-7-16(17)21-3/h4-8,14-15H,9H2,1-3H3,(H,18,19)/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425202 (CHEMBL2314259) Show SMILES COc1ccc2ccc(OC)c(\C=C\NC(C)=O)c2c1 Show InChI InChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425201 (CHEMBL2314257) Show SMILES COc1ccc2ccccc2c1\C=C\NC(C)=O Show InChI InChI=1S/C15H15NO2/c1-11(17)16-10-9-14-13-6-4-3-5-12(13)7-8-15(14)18-2/h3-10H,1-2H3,(H,16,17)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425201 (CHEMBL2314257) Show SMILES COc1ccc2ccccc2c1\C=C\NC(C)=O Show InChI InChI=1S/C15H15NO2/c1-11(17)16-10-9-14-13-6-4-3-5-12(13)7-8-15(14)18-2/h3-10H,1-2H3,(H,16,17)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425199 (CHEMBL2314260) Show SMILES CNC(=O)N=CCc1c(OC)ccc2ccc(OC)cc12 |w:5.5| Show InChI InChI=1S/C16H18N2O3/c1-17-16(19)18-9-8-13-14-10-12(20-2)6-4-11(14)5-7-15(13)21-3/h4-7,9-10H,8H2,1-3H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					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 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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425200 (CHEMBL2314253) Show SMILES COc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1 |r| Show InChI InChI=1S/C17H19NO3/c1-10(19)18-15-9-14(15)17-13-8-12(20-2)6-4-11(13)5-7-16(17)21-3/h4-8,14-15H,9H2,1-3H3,(H,18,19)/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425198 (CHEMBL2314251) Show SMILES COc1ccc2cccc([C@@H]3C[C@H]3NC(C)=O)c2c1 |r| Show InChI InChI=1S/C16H17NO2/c1-10(18)17-16-9-15(16)13-5-3-4-11-6-7-12(19-2)8-14(11)13/h3-8,15-16H,9H2,1-2H3,(H,17,18)/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425199 (CHEMBL2314260) Show SMILES CNC(=O)N=CCc1c(OC)ccc2ccc(OC)cc12 |w:5.5| Show InChI InChI=1S/C16H18N2O3/c1-17-16(19)18-9-8-13-14-10-12(20-2)6-4-11(14)5-7-15(13)21-3/h4-7,9-10H,8H2,1-3H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					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 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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425198 (CHEMBL2314251) Show SMILES COc1ccc2cccc([C@@H]3C[C@H]3NC(C)=O)c2c1 |r| Show InChI InChI=1S/C16H17NO2/c1-10(18)17-16-9-15(16)13-5-3-4-11-6-7-12(19-2)8-14(11)13/h3-8,15-16H,9H2,1-2H3,(H,17,18)/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425197 (CHEMBL229015) Show SMILES CC(=O)N\C=C\c1cccc2ccccc12 Show InChI InChI=1S/C14H13NO/c1-11(16)15-10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,1H3,(H,15,16)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425196 (CHEMBL2314252) Show SMILES COc1ccc2ccccc2c1[C@@H]1C[C@H]1NC(C)=O |r| Show InChI InChI=1S/C16H17NO2/c1-10(18)17-14-9-13(14)16-12-6-4-3-5-11(12)7-8-15(16)19-2/h3-8,13-14H,9H2,1-2H3,(H,17,18)/t13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425195 (CHEMBL2314258) Show SMILES CNC(=O)N=CCc1c(OC)ccc2ccccc12 |w:5.5| Show InChI InChI=1S/C15H16N2O2/c1-16-15(18)17-10-9-13-12-6-4-3-5-11(12)7-8-14(13)19-2/h3-8,10H,9H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425196 (CHEMBL2314252) Show SMILES COc1ccc2ccccc2c1[C@@H]1C[C@H]1NC(C)=O |r| Show InChI InChI=1S/C16H17NO2/c1-10(18)17-14-9-13(14)16-12-6-4-3-5-11(12)7-8-15(16)19-2/h3-8,13-14H,9H2,1-2H3,(H,17,18)/t13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425195 (CHEMBL2314258) Show SMILES CNC(=O)N=CCc1c(OC)ccc2ccccc12 |w:5.5| Show InChI InChI=1S/C15H16N2O2/c1-16-15(18)17-10-9-13-12-6-4-3-5-11(12)7-8-14(13)19-2/h3-8,10H,9H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425197 (CHEMBL229015) Show SMILES CC(=O)N\C=C\c1cccc2ccccc12 Show InChI InChI=1S/C14H13NO/c1-11(16)15-10-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-10H,1H3,(H,15,16)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425194 (CHEMBL2314250) Show SMILES CC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 |r| Show InChI InChI=1S/C15H15NO/c1-10(17)16-15-9-14(15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15H,9H2,1H3,(H,16,17)/t14-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425193 (CHEMBL2314254) Show SMILES CNC(=O)N=CCc1cccc2ccccc12 |w:5.5| Show InChI InChI=1S/C14H14N2O/c1-15-14(17)16-10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425194 (CHEMBL2314250) Show SMILES CC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc12 |r| Show InChI InChI=1S/C15H15NO/c1-10(17)16-15-9-14(15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15H,9H2,1H3,(H,16,17)/t14-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425193 (CHEMBL2314254) Show SMILES CNC(=O)N=CCc1cccc2ccccc12 |w:5.5| Show InChI InChI=1S/C14H14N2O/c1-15-14(17)16-10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9H2,1H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425192 (CHEMBL2314263) Show SMILES COc1ccc(OC)c(c1)[C@@H]1C[C@H]1NC(C)=O |r| Show InChI InChI=1S/C13H17NO3/c1-8(15)14-12-7-10(12)11-6-9(16-2)4-5-13(11)17-3/h4-6,10,12H,7H2,1-3H3,(H,14,15)/t10-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425192 (CHEMBL2314263) Show SMILES COc1ccc(OC)c(c1)[C@@H]1C[C@H]1NC(C)=O |r| Show InChI InChI=1S/C13H17NO3/c1-8(15)14-12-7-10(12)11-6-9(16-2)4-5-13(11)17-3/h4-6,10,12H,7H2,1-3H3,(H,14,15)/t10-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425191 (CHEMBL2314247) Show SMILES CNC(=O)N=CCc1ccccc1OC |w:5.5| Show InChI InChI=1S/C11H14N2O2/c1-12-11(14)13-8-7-9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50425191 (CHEMBL2314247) Show SMILES CNC(=O)N=CCc1ccccc1OC |w:5.5| Show InChI InChI=1S/C11H14N2O2/c1-12-11(14)13-8-7-9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair