Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50027115   

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))	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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263758 (CHEMBL490188 | N-[2-(3-(3-Aminophenyl)-7-methoxyna...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(N)c1 Show InChI InChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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 Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					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	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263662 (CHEMBL476341 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...) Show SMILES CCCC(=O)NCCc1cc(cc2ccc(OC)cc12)-c1cccc(CO)c1 Show InChI InChI=1S/C24H27NO3/c1-3-5-24(27)25-11-10-20-14-21(18-7-4-6-17(12-18)16-26)13-19-8-9-22(28-2)15-23(19)20/h4,6-9,12-15,26H,3,5,10-11,16H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263659 (CHEMBL476131 | N-[2-(3-(3-hydroxymethylphenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CO)c1 Show InChI InChI=1S/C22H23NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13,24H,8-9,14H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263602 (CHEMBL453138 | N-[2-(3-phenyl-7-methoxynaphth-1-yl...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C21H21NO2/c1-15(23)22-11-10-18-13-19(16-6-4-3-5-7-16)12-17-8-9-20(24-2)14-21(17)18/h3-9,12-14H,10-11H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					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	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263713 (CHEMBL491604 | N-[2-(3-(3-Formylphenyl)-7-methoxyn...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(C=O)c1 Show InChI InChI=1S/C22H21NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-14H,8-9H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263551 (CHEMBL477835 | N-[2-(3-(3-Methylaminophenyl)-7-met...) Show SMILES CNc1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1 Show InChI InChI=1S/C22H24N2O2/c1-15(25)24-10-9-18-12-19(16-5-4-6-20(13-16)23-2)11-17-7-8-21(26-3)14-22(17)18/h4-8,11-14,23H,9-10H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263661 (CHEMBL518113 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...) Show SMILES CCC(=O)NCCc1cc(cc2ccc(OC)cc12)-c1cccc(CO)c1 Show InChI InChI=1S/C23H25NO3/c1-3-23(26)24-10-9-19-13-20(17-6-4-5-16(11-17)15-25)12-18-7-8-21(27-2)14-22(18)19/h4-8,11-14,25H,3,9-10,15H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263716 (CHEMBL490595 | N-[2-(3-(3-Bromomethylphenyl)-7-met...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CBr)c1 Show InChI InChI=1S/C22H22BrNO2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263714 (3-[4-(2-Acetylaminoethyl)-6-methoxynaphth-2-yl]ben...) Show SMILES COC(=O)c1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1 Show InChI InChI=1S/C23H23NO4/c1-15(25)24-10-9-18-13-20(12-17-7-8-21(27-2)14-22(17)18)16-5-4-6-19(11-16)23(26)28-3/h4-8,11-14H,9-10H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263549 (CHEMBL477833 | N-[2-(3-(3-Iodomethylphenyl)-7-meth...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CI)c1 Show InChI InChI=1S/C22H22INO2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263600 (CHEMBL478217 | N-[2-(3-(3-Dimethylaminophenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(c1)N(C)C Show InChI InChI=1S/C23H26N2O2/c1-16(26)24-11-10-19-13-20(17-6-5-7-21(14-17)25(2)3)12-18-8-9-22(27-4)15-23(18)19/h5-9,12-15H,10-11H2,1-4H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263712 (CHEMBL491403 | N-[2-(3-(3-Methoxymethylphenyl)-7-m...) Show SMILES COCc1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1 Show InChI InChI=1S/C23H25NO3/c1-16(25)24-10-9-20-13-21(18-6-4-5-17(11-18)15-26-2)12-19-7-8-22(27-3)14-23(19)20/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263603 (CHEMBL517502 | N-[2-(3-(2-Hydroxymethylphenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1ccccc1CO Show InChI InChI=1S/C22H23NO3/c1-15(25)23-10-9-17-12-19(21-6-4-3-5-18(21)14-24)11-16-7-8-20(26-2)13-22(16)17/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263550 (CHEMBL477834 | N-[2-(3-(3-Aminomethylphenyl)-7-met...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CN)c1 Show InChI InChI=1S/C22H24N2O2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14,23H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263603 (CHEMBL517502 | N-[2-(3-(2-Hydroxymethylphenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1ccccc1CO Show InChI InChI=1S/C22H23NO3/c1-15(25)23-10-9-17-12-19(21-6-4-3-5-18(21)14-24)11-16-7-8-20(26-2)13-22(16)17/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263759 (CHEMBL489170 | N-[2-(3-(3-Acetylaminophenyl)-7-met...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C23H24N2O3/c1-15(26)24-10-9-19-12-20(11-18-7-8-22(28-3)14-23(18)19)17-5-4-6-21(13-17)25-16(2)27/h4-8,11-14H,9-10H2,1-3H3,(H,24,26)(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263601 (CHEMBL478218 | N-[2-(3-(3-Ethoxycarbonylaminopheny...) Show SMILES CCOC(=O)Nc1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1 Show InChI InChI=1S/C24H26N2O4/c1-4-30-24(28)26-21-7-5-6-17(14-21)20-12-18-8-9-22(29-3)15-23(18)19(13-20)10-11-25-16(2)27/h5-9,12-15H,4,10-11H2,1-3H3,(H,25,27)(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263660 (CHEMBL476132 | N-[2-(3-(4-Hydroxymethylphenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1ccc(CO)cc1 Show InChI InChI=1S/C22H23NO3/c1-15(25)23-10-9-19-12-20(17-5-3-16(14-24)4-6-17)11-18-7-8-21(26-2)13-22(18)19/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263714 (3-[4-(2-Acetylaminoethyl)-6-methoxynaphth-2-yl]ben...) Show SMILES COC(=O)c1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1 Show InChI InChI=1S/C23H23NO4/c1-15(25)24-10-9-18-13-20(12-17-7-8-21(27-2)14-22(17)18)16-5-4-6-19(11-16)23(26)28-3/h4-8,11-14H,9-10H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263759 (CHEMBL489170 | N-[2-(3-(3-Acetylaminophenyl)-7-met...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(NC(C)=O)c1 Show InChI InChI=1S/C23H24N2O3/c1-15(26)24-10-9-19-12-20(11-18-7-8-22(28-3)14-23(18)19)17-5-4-6-21(13-17)25-16(2)27/h4-8,11-14H,9-10H2,1-3H3,(H,24,26)(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263715 (3-(4-(2-Acetylaminoethyl)-6-methoxynaphth-2-yl)ben...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H21NO4/c1-14(24)23-9-8-17-12-19(15-4-3-5-18(10-15)22(25)26)11-16-6-7-20(27-2)13-21(16)17/h3-7,10-13H,8-9H2,1-2H3,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263663 (CHEMBL478438 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(=O)C3CCC3)c2c1)-c1cccc(CO)c1 Show InChI InChI=1S/C25H27NO3/c1-29-23-9-8-20-13-22(19-7-2-4-17(12-19)16-27)14-21(24(20)15-23)10-11-26-25(28)18-5-3-6-18/h2,4,7-9,12-15,18,27H,3,5-6,10-11,16H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263600 (CHEMBL478217 | N-[2-(3-(3-Dimethylaminophenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(c1)N(C)C Show InChI InChI=1S/C23H26N2O2/c1-16(26)24-11-10-19-13-20(17-6-5-7-21(14-17)25(2)3)12-18-8-9-22(27-4)15-23(18)19/h5-9,12-15H,10-11H2,1-4H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263716 (CHEMBL490595 | N-[2-(3-(3-Bromomethylphenyl)-7-met...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CBr)c1 Show InChI InChI=1S/C22H22BrNO2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263602 (CHEMBL453138 | N-[2-(3-phenyl-7-methoxynaphth-1-yl...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C21H21NO2/c1-15(23)22-11-10-18-13-19(16-6-4-3-5-7-16)12-17-8-9-20(24-2)14-21(17)18/h3-9,12-14H,10-11H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263662 (CHEMBL476341 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...) Show SMILES CCCC(=O)NCCc1cc(cc2ccc(OC)cc12)-c1cccc(CO)c1 Show InChI InChI=1S/C24H27NO3/c1-3-5-24(27)25-11-10-20-14-21(18-7-4-6-17(12-18)16-26)13-19-8-9-22(28-2)15-23(19)20/h4,6-9,12-15,26H,3,5,10-11,16H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263758 (CHEMBL490188 | N-[2-(3-(3-Aminophenyl)-7-methoxyna...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(N)c1 Show InChI InChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263551 (CHEMBL477835 | N-[2-(3-(3-Methylaminophenyl)-7-met...) Show SMILES CNc1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1 Show InChI InChI=1S/C22H24N2O2/c1-15(25)24-10-9-18-12-19(16-5-4-6-20(13-16)23-2)11-17-7-8-21(26-3)14-22(17)18/h4-8,11-14,23H,9-10H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263601 (CHEMBL478218 | N-[2-(3-(3-Ethoxycarbonylaminopheny...) Show SMILES CCOC(=O)Nc1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1 Show InChI InChI=1S/C24H26N2O4/c1-4-30-24(28)26-21-7-5-6-17(14-21)20-12-18-8-9-22(29-3)15-23(18)19(13-20)10-11-25-16(2)27/h5-9,12-15H,4,10-11H2,1-3H3,(H,25,27)(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263661 (CHEMBL518113 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...) Show SMILES CCC(=O)NCCc1cc(cc2ccc(OC)cc12)-c1cccc(CO)c1 Show InChI InChI=1S/C23H25NO3/c1-3-23(26)24-10-9-19-13-20(17-6-4-5-16(11-17)15-25)12-18-7-8-21(27-2)14-22(18)19/h4-8,11-14,25H,3,9-10,15H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263549 (CHEMBL477833 | N-[2-(3-(3-Iodomethylphenyl)-7-meth...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CI)c1 Show InChI InChI=1S/C22H22INO2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263713 (CHEMBL491604 | N-[2-(3-(3-Formylphenyl)-7-methoxyn...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(C=O)c1 Show InChI InChI=1S/C22H21NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-14H,8-9H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263712 (CHEMBL491403 | N-[2-(3-(3-Methoxymethylphenyl)-7-m...) Show SMILES COCc1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1 Show InChI InChI=1S/C23H25NO3/c1-16(25)24-10-9-20-13-21(18-6-4-5-17(11-18)15-26-2)12-19-7-8-22(27-3)14-23(19)20/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263659 (CHEMBL476131 | N-[2-(3-(3-hydroxymethylphenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CO)c1 Show InChI InChI=1S/C22H23NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13,24H,8-9,14H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263660 (CHEMBL476132 | N-[2-(3-(4-Hydroxymethylphenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1ccc(CO)cc1 Show InChI InChI=1S/C22H23NO3/c1-15(25)23-10-9-19-12-20(17-5-3-16(14-24)4-6-17)11-18-7-8-21(26-2)13-22(18)19/h3-8,11-13,24H,9-10,14H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	297	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263550 (CHEMBL477834 | N-[2-(3-(3-Aminomethylphenyl)-7-met...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CN)c1 Show InChI InChI=1S/C22H24N2O2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14,23H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263663 (CHEMBL478438 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...) Show SMILES COc1ccc2cc(cc(CCNC(=O)C3CCC3)c2c1)-c1cccc(CO)c1 Show InChI InChI=1S/C25H27NO3/c1-29-23-9-8-20-13-22(19-7-2-4-17(12-19)16-27)14-21(24(20)15-23)10-11-26-25(28)18-5-3-6-18/h2,4,7-9,12-15,18,27H,3,5-6,10-11,16H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263715 (3-(4-(2-Acetylaminoethyl)-6-methoxynaphth-2-yl)ben...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H21NO4/c1-14(24)23-9-8-17-12-19(15-4-3-5-18(10-15)22(25)26)11-16-6-7-20(27-2)13-21(16)17/h3-7,10-13H,8-9H2,1-2H3,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263758 (CHEMBL490188 | N-[2-(3-(3-Aminophenyl)-7-methoxyna...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(N)c1 Show InChI InChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263551 (CHEMBL477835 | N-[2-(3-(3-Methylaminophenyl)-7-met...) Show SMILES CNc1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1 Show InChI InChI=1S/C22H24N2O2/c1-15(25)24-10-9-18-12-19(16-5-4-6-20(13-16)23-2)11-17-7-8-21(26-3)14-22(17)18/h4-8,11-14,23H,9-10H2,1-3H3,(H,24,25)	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	0.5	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263716 (CHEMBL490595 | N-[2-(3-(3-Bromomethylphenyl)-7-met...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CBr)c1 Show InChI InChI=1S/C22H22BrNO2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,25)	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	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263662 (CHEMBL476341 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...) Show SMILES CCCC(=O)NCCc1cc(cc2ccc(OC)cc12)-c1cccc(CO)c1 Show InChI InChI=1S/C24H27NO3/c1-3-5-24(27)25-11-10-20-14-21(18-7-4-6-17(12-18)16-26)13-19-8-9-22(28-2)15-23(19)20/h4,6-9,12-15,26H,3,5,10-11,16H2,1-2H3,(H,25,27)	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	0.600	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263661 (CHEMBL518113 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...) Show SMILES CCC(=O)NCCc1cc(cc2ccc(OC)cc12)-c1cccc(CO)c1 Show InChI InChI=1S/C23H25NO3/c1-3-23(26)24-10-9-19-13-20(17-6-4-5-16(11-17)15-25)12-18-7-8-21(27-2)14-22(18)19/h4-8,11-14,25H,3,9-10,15H2,1-2H3,(H,24,26)	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	0.700	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263713 (CHEMBL491604 | N-[2-(3-(3-Formylphenyl)-7-methoxyn...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(C=O)c1 Show InChI InChI=1S/C22H21NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-14H,8-9H2,1-2H3,(H,23,25)	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	1.30	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					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	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50263602 (CHEMBL453138 | N-[2-(3-phenyl-7-methoxynaphth-1-yl...) Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C21H21NO2/c1-15(23)22-11-10-18-13-19(16-6-4-3-5-7-16)12-17-8-9-20(24-2)14-21(17)18/h3-9,12-14H,10-11H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 16: 8339-48 (2008) Article DOI: 10.1016/j.bmc.2008.08.052 BindingDB Entry DOI: 10.7270/Q24B314N
					More data for this Ligand-Target Pair

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