Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'fraise' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melatonin receptor type 1A (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	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343991 (CHEMBL1779810 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CC=C)cc1 Show InChI InChI=1S/C20H17F2NOS2/c1-2-3-19(24)23-11-10-16-17-12-14(22)6-9-18(17)26-20(16)25-15-7-4-13(21)5-8-15/h2,4-9,12H,1,3,10-11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					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	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343992 (CHEMBL1779804 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343988 (CHEMBL1779805 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C19H17F2NOS2/c1-2-18(23)22-10-9-15-16-11-13(21)5-8-17(16)25-19(15)24-14-6-3-12(20)4-7-14/h3-8,11H,2,9-10H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343990 (CHEMBL1779803 | N-(2-(5-fluorobenzo[b]thiophen-3-y...) Show SMILES CC(=O)NCCc1csc2ccc(F)cc12 Show InChI InChI=1S/C12H12FNOS/c1-8(15)14-5-4-9-7-16-12-3-2-10(13)6-11(9)12/h2-3,6-7H,4-5H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343989 (CHEMBL1779807 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CBr)cc1 Show InChI InChI=1S/C18H14BrF2NOS2/c19-10-17(23)22-8-7-14-15-9-12(21)3-6-16(15)25-18(14)24-13-4-1-11(20)2-5-13/h1-6,9H,7-8,10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343993 (CHEMBL1779809 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)C=C)cc1 Show InChI InChI=1S/C19H15F2NOS2/c1-2-18(23)22-10-9-15-16-11-13(21)5-8-17(16)25-19(15)24-14-6-3-12(20)4-7-14/h2-8,11H,1,9-10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343989 (CHEMBL1779807 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CBr)cc1 Show InChI InChI=1S/C18H14BrF2NOS2/c19-10-17(23)22-8-7-14-15-9-12(21)3-6-16(15)25-18(14)24-13-4-1-11(20)2-5-13/h1-6,9H,7-8,10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343990 (CHEMBL1779803 | N-(2-(5-fluorobenzo[b]thiophen-3-y...) Show SMILES CC(=O)NCCc1csc2ccc(F)cc12 Show InChI InChI=1S/C12H12FNOS/c1-8(15)14-5-4-9-7-16-12-3-2-10(13)6-11(9)12/h2-3,6-7H,4-5H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343995 (4-chloro-N-(2-(5-fluoro-2-(4-fluorophenylthio)benz...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CCCCl)cc1 Show InChI InChI=1S/C20H18ClF2NOS2/c21-10-1-2-19(25)24-11-9-16-17-12-14(23)5-8-18(17)27-20(16)26-15-6-3-13(22)4-7-15/h3-8,12H,1-2,9-11H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343991 (CHEMBL1779810 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CC=C)cc1 Show InChI InChI=1S/C20H17F2NOS2/c1-2-3-19(24)23-11-10-16-17-12-14(22)6-9-18(17)26-20(16)25-15-7-4-13(21)5-8-15/h2,4-9,12H,1,3,10-11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343992 (CHEMBL1779804 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343994 (CHEMBL1779806 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)C2CCC2)cc1 Show InChI InChI=1S/C21H19F2NOS2/c22-14-4-7-16(8-5-14)26-21-17(10-11-24-20(25)13-2-1-3-13)18-12-15(23)6-9-19(18)27-21/h4-9,12-13H,1-3,10-11H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343988 (CHEMBL1779805 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C19H17F2NOS2/c1-2-18(23)22-10-9-15-16-11-13(21)5-8-17(16)25-19(15)24-14-6-3-12(20)4-7-14/h3-8,11H,2,9-10H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343993 (CHEMBL1779809 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)C=C)cc1 Show InChI InChI=1S/C19H15F2NOS2/c1-2-18(23)22-10-9-15-16-11-13(21)5-8-17(16)25-19(15)24-14-6-3-12(20)4-7-14/h2-8,11H,1,9-10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343994 (CHEMBL1779806 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)C2CCC2)cc1 Show InChI InChI=1S/C21H19F2NOS2/c22-14-4-7-16(8-5-14)26-21-17(10-11-24-20(25)13-2-1-3-13)18-12-15(23)6-9-19(18)27-21/h4-9,12-13H,1-3,10-11H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	915	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343995 (4-chloro-N-(2-(5-fluoro-2-(4-fluorophenylthio)benz...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CCCCl)cc1 Show InChI InChI=1S/C20H18ClF2NOS2/c21-10-1-2-19(25)24-11-9-16-17-12-14(23)5-8-18(17)27-20(16)26-15-6-3-13(22)4-7-15/h3-8,12H,1-2,9-11H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343991 (CHEMBL1779810 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CC=C)cc1 Show InChI InChI=1S/C20H17F2NOS2/c1-2-3-19(24)23-11-10-16-17-12-14(22)6-9-18(17)26-20(16)25-15-7-4-13(21)5-8-15/h2,4-9,12H,1,3,10-11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.15	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343990 (CHEMBL1779803 | N-(2-(5-fluorobenzo[b]thiophen-3-y...) Show SMILES CC(=O)NCCc1csc2ccc(F)cc12 Show InChI InChI=1S/C12H12FNOS/c1-8(15)14-5-4-9-7-16-12-3-2-10(13)6-11(9)12/h2-3,6-7H,4-5H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.680	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343992 (CHEMBL1779804 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.640	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343992 (CHEMBL1779804 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	202	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343991 (CHEMBL1779810 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CC=C)cc1 Show InChI InChI=1S/C20H17F2NOS2/c1-2-3-19(24)23-11-10-16-17-12-14(22)6-9-18(17)26-20(16)25-15-7-4-13(21)5-8-15/h2,4-9,12H,1,3,10-11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	188	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343990 (CHEMBL1779803 | N-(2-(5-fluorobenzo[b]thiophen-3-y...) Show SMILES CC(=O)NCCc1csc2ccc(F)cc12 Show InChI InChI=1S/C12H12FNOS/c1-8(15)14-5-4-9-7-16-12-3-2-10(13)6-11(9)12/h2-3,6-7H,4-5H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23.8	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343988 (CHEMBL1779805 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C19H17F2NOS2/c1-2-18(23)22-10-9-15-16-11-13(21)5-8-17(16)25-19(15)24-14-6-3-12(20)4-7-14/h3-8,11H,2,9-10H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343989 (CHEMBL1779807 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CBr)cc1 Show InChI InChI=1S/C18H14BrF2NOS2/c19-10-17(23)22-8-7-14-15-9-12(21)3-6-16(15)25-18(14)24-13-4-1-11(20)2-5-13/h1-6,9H,7-8,10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.27	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343988 (CHEMBL1779805 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES CCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 Show InChI InChI=1S/C19H17F2NOS2/c1-2-18(23)22-10-9-15-16-11-13(21)5-8-17(16)25-19(15)24-14-6-3-12(20)4-7-14/h3-8,11H,2,9-10H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343989 (CHEMBL1779807 | N-(2-(5-fluoro-2-(4-fluorophenylth...) Show SMILES Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CBr)cc1 Show InChI InChI=1S/C18H14BrF2NOS2/c19-10-17(23)22-8-7-14-15-9-12(21)3-6-16(15)25-18(14)24-13-4-1-11(20)2-5-13/h1-6,9H,7-8,10H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Universit£ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Eur J Med Chem 46: 1835-40 (2011) Article DOI: 10.1016/j.ejmech.2011.02.044 BindingDB Entry DOI: 10.7270/Q27D2VG9
					More data for this Ligand-Target Pair