Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'descamps-françois' and Initial = 'c'   

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))	BDBM50125758 (CHEMBL14417 | N-[2-(7-{10-[8-(2-Acetylamino-ethyl)...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C38H48N2O4/c1-29(41)39-23-21-33-15-11-13-31-17-19-35(27-37(31)33)43-25-9-7-5-3-4-6-8-10-26-44-36-20-18-32-14-12-16-34(38(32)28-36)22-24-40-30(2)42/h11-20,27-28H,3-10,21-26H2,1-2H3,(H,39,41)(H,40,42)	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
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125758 (CHEMBL14417 | N-[2-(7-{10-[8-(2-Acetylamino-ethyl)...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C38H48N2O4/c1-29(41)39-23-21-33-15-11-13-31-17-19-35(27-37(31)33)43-25-9-7-5-3-4-6-8-10-26-44-36-20-18-32-14-12-16-34(38(32)28-36)22-24-40-30(2)42/h11-20,27-28H,3-10,21-26H2,1-2H3,(H,39,41)(H,40,42)	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
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50125755 (CHEMBL273787 | N-[2-(7-{5-[8-(2-Acetylamino-ethyl)...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C33H38N2O4/c1-24(36)34-18-16-28-10-6-8-26-12-14-30(22-32(26)28)38-20-4-3-5-21-39-31-15-13-27-9-7-11-29(33(27)23-31)17-19-35-25(2)37/h6-15,22-23H,3-5,16-21H2,1-2H3,(H,34,36)(H,35,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50125752 (CHEMBL14136 | N-[2-(7-{8-[8-(2-Acetylamino-ethyl)-...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C36H44N2O4/c1-27(39)37-21-19-31-13-9-11-29-15-17-33(25-35(29)31)41-23-7-5-3-4-6-8-24-42-34-18-16-30-12-10-14-32(36(30)26-34)20-22-38-28(2)40/h9-18,25-26H,3-8,19-24H2,1-2H3,(H,37,39)(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316694 (CHEMBL1095196 | N-[2-(7-{4-[8-(Methoxycarbonylmeth...) Show SMILES COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C31H33NO5/c1-22(33)32-16-15-25-9-5-7-23-11-13-27(20-29(23)25)36-17-3-4-18-37-28-14-12-24-8-6-10-26(30(24)21-28)19-31(34)35-2/h5-14,20-21H,3-4,15-19H2,1-2H3,(H,32,33)	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
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50125753 (CHEMBL13985 | N-[2-(7-{6-[8-(2-Acetylamino-ethyl)-...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C34H40N2O4/c1-25(37)35-19-17-29-11-7-9-27-13-15-31(23-33(27)29)39-21-5-3-4-6-22-40-32-16-14-28-10-8-12-30(34(28)24-32)18-20-36-26(2)38/h7-16,23-24H,3-6,17-22H2,1-2H3,(H,35,37)(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316692 (CHEMBL1094212 | N-[2-(7-{4-(4'-Hydroxymethylbiphen...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(CO)cc3)cc12 Show InChI InChI=1S/C31H33NO4/c1-23(34)32-18-17-28-6-4-5-27-13-16-30(21-31(27)28)36-20-3-2-19-35-29-14-11-26(12-15-29)25-9-7-24(22-33)8-10-25/h4-16,21,33H,2-3,17-20,22H2,1H3,(H,32,34)	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
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					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	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125752 (CHEMBL14136 | N-[2-(7-{8-[8-(2-Acetylamino-ethyl)-...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C36H44N2O4/c1-27(39)37-21-19-31-13-9-11-29-15-17-33(25-35(29)31)41-23-7-5-3-4-6-8-24-42-34-18-16-30-12-10-14-32(36(30)26-34)20-22-38-28(2)40/h9-18,25-26H,3-8,19-24H2,1-2H3,(H,37,39)(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316693 (CHEMBL1095831 | N-[2-(7-{4-[8-(2-Acetylaminoethyl)...) Show SMILES CC(=O)NCCC1CCCc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C32H40N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5,7,9,11-14,21-22,28H,3-4,6,8,10,15-20H2,1-2H3,(H,33,35)(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					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
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316696 (CHEMBL1095197 | N-[2-(7-{4-[6-(1-Methoxycarbonylet...) Show SMILES COC(=O)C(C)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1 Show InChI InChI=1S/C32H35NO5/c1-22(32(35)36-3)26-9-10-28-20-29(14-12-27(28)19-26)37-17-4-5-18-38-30-13-11-24-7-6-8-25(31(24)21-30)15-16-33-23(2)34/h6-14,19-22H,4-5,15-18H2,1-3H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					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
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50125754 (CHEMBL429392 | N,N'-(2,2'-(7,7'-(propane-1,3-diylb...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316695 (CHEMBL1094546 | N-[2-(7-{4-(4'-Carboxybiphenyl-4-y...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(cc3)C(O)=O)cc12 Show InChI InChI=1S/C31H31NO5/c1-22(33)32-18-17-26-6-4-5-25-13-16-29(21-30(25)26)37-20-3-2-19-36-28-14-11-24(12-15-28)23-7-9-27(10-8-23)31(34)35/h4-16,21H,2-3,17-20H2,1H3,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316691 (CHEMBL1096991 | N-[2-(7-{4-[8-(2-(2-Furoyl)aminoet...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)c5ccco5)c4c3)cc12 Show InChI InChI=1S/C35H36N2O5/c1-25(38)36-18-16-28-9-4-7-26-12-14-30(23-32(26)28)40-20-2-3-21-41-31-15-13-27-8-5-10-29(33(27)24-31)17-19-37-35(39)34-11-6-22-42-34/h4-15,22-24H,2-3,16-21H2,1H3,(H,36,38)(H,37,39)	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
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316697 (CHEMBL1095195 | N-[2-(7-{4-[8-(2-vinylacetylaminoe...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12 Show InChI InChI=1S/C34H38N2O4/c1-3-8-34(38)36-20-18-29-12-7-10-27-14-16-31(24-33(27)29)40-22-5-4-21-39-30-15-13-26-9-6-11-28(32(26)23-30)17-19-35-25(2)37/h3,6-7,9-16,23-24H,1,4-5,8,17-22H2,2H3,(H,35,37)(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316699 (CHEMBL1097315 | N-[2-(7-{4-[8-(2-Vinylacetylaminoe...) Show SMILES C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12 Show InChI InChI=1S/C36H40N2O4/c1-3-9-35(39)37-21-19-29-13-7-11-27-15-17-31(25-33(27)29)41-23-5-6-24-42-32-18-16-28-12-8-14-30(34(28)26-32)20-22-38-36(40)10-4-2/h3-4,7-8,11-18,25-26H,1-2,5-6,9-10,19-24H2,(H,37,39)(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316698 (CHEMBL1097314 | N-[2-(7-{4-[8-(2-Cyclopropylcarbon...) Show SMILES O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1 Show InChI InChI=1S/C36H40N2O4/c39-35(29-9-10-29)37-19-17-27-7-3-5-25-13-15-31(23-33(25)27)41-21-1-2-22-42-32-16-14-26-6-4-8-28(34(26)24-32)18-20-38-36(40)30-11-12-30/h3-8,13-16,23-24,29-30H,1-2,9-12,17-22H2,(H,37,39)(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316700 (CHEMBL1095832 | N-[2-(7-{4-[8-(2-Cyclopropanecarbo...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12 Show InChI InChI=1S/C34H38N2O4/c1-24(37)35-18-16-27-8-4-6-25-12-14-30(22-32(25)27)39-20-2-3-21-40-31-15-13-26-7-5-9-28(33(26)23-31)17-19-36-34(38)29-10-11-29/h4-9,12-15,22-23,29H,2-3,10-11,16-21H2,1H3,(H,35,37)(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316702 (CHEMBL1097496 | N-[2-(7-{4-[3-(2-acetylaminoethyl)...) Show SMILES CC(=O)NCCc1coc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C30H34N2O5/c1-21(33)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)35-16-3-4-17-36-27-10-11-30-29(19-27)25(20-37-30)13-15-32-22(2)34/h5-11,18-20H,3-4,12-17H2,1-2H3,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316701 (CHEMBL1095505 | N-[2-(7-{4-[6-(1-Carboxyethyl)naph...) Show SMILES CC(C(O)=O)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1 Show InChI InChI=1S/C31H33NO5/c1-21(31(34)35)25-8-9-27-19-28(13-11-26(27)18-25)36-16-3-4-17-37-29-12-10-23-6-5-7-24(30(23)20-29)14-15-32-22(2)33/h5-13,18-21H,3-4,14-17H2,1-2H3,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125755 (CHEMBL273787 | N-[2-(7-{5-[8-(2-Acetylamino-ethyl)...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C33H38N2O4/c1-24(36)34-18-16-28-10-6-8-26-12-14-30(22-32(26)28)38-20-4-3-5-21-39-31-15-13-27-9-7-11-29(33(27)23-31)17-19-35-25(2)37/h6-15,22-23H,3-5,16-21H2,1-2H3,(H,34,36)(H,35,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316694 (CHEMBL1095196 | N-[2-(7-{4-[8-(Methoxycarbonylmeth...) Show SMILES COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C31H33NO5/c1-22(33)32-16-15-25-9-5-7-23-11-13-27(20-29(23)25)36-17-3-4-18-37-28-14-12-24-8-6-10-26(30(24)21-28)19-31(34)35-2/h5-14,20-21H,3-4,15-19H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50125756 (CHEMBL14514 | N-[2-(7-{2-[8-(2-Acetylamino-ethyl)-...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C30H32N2O4/c1-21(33)31-15-13-25-7-3-5-23-9-11-27(19-29(23)25)35-17-18-36-28-12-10-24-6-4-8-26(30(24)20-28)14-16-32-22(2)34/h3-12,19-20H,13-18H2,1-2H3,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125753 (CHEMBL13985 | N-[2-(7-{6-[8-(2-Acetylamino-ethyl)-...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C34H40N2O4/c1-25(37)35-19-17-29-11-7-9-27-13-15-31(23-33(27)29)39-21-5-3-4-6-22-40-32-16-14-28-10-8-12-30(34(28)24-32)18-20-36-26(2)38/h7-16,23-24H,3-6,17-22H2,1-2H3,(H,35,37)(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316703 (CHEMBL1094545 | N-[2-(7-{4-[4'-Methoxycarbonylbiph...) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OCCCCOc2ccc3cccc(CCNC(C)=O)c3c2)cc1 Show InChI InChI=1S/C32H33NO5/c1-23(34)33-19-18-27-7-5-6-26-14-17-30(22-31(26)27)38-21-4-3-20-37-29-15-12-25(13-16-29)24-8-10-28(11-9-24)32(35)36-2/h5-17,22H,3-4,18-21H2,1-2H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316706 (CHEMBL1097497 | N-[2-(7-{4-[3-(2-Acetylaminoethyl)...) Show SMILES CC(=O)NCCc1csc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C30H34N2O4S/c1-21(33)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)35-16-3-4-17-36-27-10-11-30-29(19-27)25(20-37-30)13-15-32-22(2)34/h5-11,18-20H,3-4,12-17H2,1-2H3,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316704 (CHEMBL1095522 | N-[2-(7-{4-[3-(2-Acetylaminoethyl)...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C30H35N3O4/c1-21(34)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)36-16-3-4-17-37-27-10-11-30-29(19-27)25(20-33-30)13-15-32-22(2)35/h5-11,18-20,33H,3-4,12-17H2,1-2H3,(H,31,34)(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316696 (CHEMBL1095197 | N-[2-(7-{4-[6-(1-Methoxycarbonylet...) Show SMILES COC(=O)C(C)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1 Show InChI InChI=1S/C32H35NO5/c1-22(32(35)36-3)26-9-10-28-20-29(14-12-27(28)19-26)37-17-4-5-18-38-30-13-11-24-7-6-8-25(31(24)21-30)15-16-33-23(2)34/h6-14,19-22H,4-5,15-18H2,1-3H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316692 (CHEMBL1094212 | N-[2-(7-{4-(4'-Hydroxymethylbiphen...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(CO)cc3)cc12 Show InChI InChI=1S/C31H33NO4/c1-23(34)32-18-17-28-6-4-5-27-13-16-30(21-31(27)28)36-20-3-2-19-35-29-14-11-26(12-15-29)25-9-7-24(22-33)8-10-25/h4-16,21,33H,2-3,17-20,22H2,1H3,(H,32,34)	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
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316693 (CHEMBL1095831 | N-[2-(7-{4-[8-(2-Acetylaminoethyl)...) Show SMILES CC(=O)NCCC1CCCc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C32H40N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5,7,9,11-14,21-22,28H,3-4,6,8,10,15-20H2,1-2H3,(H,33,35)(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316697 (CHEMBL1095195 | N-[2-(7-{4-[8-(2-vinylacetylaminoe...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12 Show InChI InChI=1S/C34H38N2O4/c1-3-8-34(38)36-20-18-29-12-7-10-27-14-16-31(24-33(27)29)40-22-5-4-21-39-30-15-13-26-9-6-11-28(32(26)23-30)17-19-35-25(2)37/h3,6-7,9-16,23-24H,1,4-5,8,17-22H2,2H3,(H,35,37)(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50316705 (CHEMBL1095504 | N-[2-{7-(4-[8-(carboxymethyl)napht...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CC(O)=O)c4c3)cc12 Show InChI InChI=1S/C30H31NO5/c1-21(32)31-15-14-24-8-4-6-22-10-12-26(19-28(22)24)35-16-2-3-17-36-27-13-11-23-7-5-9-25(18-30(33)34)29(23)20-27/h4-13,19-20H,2-3,14-18H2,1H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316699 (CHEMBL1097315 | N-[2-(7-{4-[8-(2-Vinylacetylaminoe...) Show SMILES C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12 Show InChI InChI=1S/C36H40N2O4/c1-3-9-35(39)37-21-19-29-13-7-11-27-15-17-31(25-33(27)29)41-23-5-6-24-42-32-18-16-28-12-8-14-30(34(28)26-32)20-22-38-36(40)10-4-2/h3-4,7-8,11-18,25-26H,1-2,5-6,9-10,19-24H2,(H,37,39)(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316700 (CHEMBL1095832 | N-[2-(7-{4-[8-(2-Cyclopropanecarbo...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12 Show InChI InChI=1S/C34H38N2O4/c1-24(37)35-18-16-27-8-4-6-25-12-14-30(22-32(25)27)39-20-2-3-21-40-31-15-13-26-7-5-9-28(33(26)23-31)17-19-36-34(38)29-10-11-29/h4-9,12-15,22-23,29H,2-3,10-11,16-21H2,1H3,(H,35,37)(H,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316691 (CHEMBL1096991 | N-[2-(7-{4-[8-(2-(2-Furoyl)aminoet...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)c5ccco5)c4c3)cc12 Show InChI InChI=1S/C35H36N2O5/c1-25(38)36-18-16-28-9-4-7-26-12-14-30(23-32(26)28)40-20-2-3-21-41-31-15-13-27-8-5-10-29(33(27)24-31)17-19-37-35(39)34-11-6-22-42-34/h4-15,22-24H,2-3,16-21H2,1H3,(H,36,38)(H,37,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316702 (CHEMBL1097496 | N-[2-(7-{4-[3-(2-acetylaminoethyl)...) Show SMILES CC(=O)NCCc1coc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C30H34N2O5/c1-21(33)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)35-16-3-4-17-36-27-10-11-30-29(19-27)25(20-37-30)13-15-32-22(2)34/h5-11,18-20H,3-4,12-17H2,1-2H3,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316698 (CHEMBL1097314 | N-[2-(7-{4-[8-(2-Cyclopropylcarbon...) Show SMILES O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1 Show InChI InChI=1S/C36H40N2O4/c39-35(29-9-10-29)37-19-17-27-7-3-5-25-13-15-31(23-33(25)27)41-21-1-2-22-42-32-16-14-26-6-4-8-28(34(26)24-32)18-20-38-36(40)30-11-12-30/h3-8,13-16,23-24,29-30H,1-2,9-12,17-22H2,(H,37,39)(H,38,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316706 (CHEMBL1097497 | N-[2-(7-{4-[3-(2-Acetylaminoethyl)...) Show SMILES CC(=O)NCCc1csc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C30H34N2O4S/c1-21(33)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)35-16-3-4-17-36-27-10-11-30-29(19-27)25(20-37-30)13-15-32-22(2)34/h5-11,18-20H,3-4,12-17H2,1-2H3,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316703 (CHEMBL1094545 | N-[2-(7-{4-[4'-Methoxycarbonylbiph...) Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OCCCCOc2ccc3cccc(CCNC(C)=O)c3c2)cc1 Show InChI InChI=1S/C32H33NO5/c1-23(34)33-19-18-27-7-5-6-26-14-17-30(22-31(26)27)38-21-4-3-20-37-29-15-12-25(13-16-29)24-8-10-28(11-9-24)32(35)36-2/h5-17,22H,3-4,18-21H2,1-2H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316705 (CHEMBL1095504 | N-[2-{7-(4-[8-(carboxymethyl)napht...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CC(O)=O)c4c3)cc12 Show InChI InChI=1S/C30H31NO5/c1-21(32)31-15-14-24-8-4-6-22-10-12-26(19-28(22)24)35-16-2-3-17-36-27-13-11-23-7-5-9-25(18-30(33)34)29(23)20-27/h4-13,19-20H,2-3,14-18H2,1H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316695 (CHEMBL1094546 | N-[2-(7-{4-(4'-Carboxybiphenyl-4-y...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(cc3)C(O)=O)cc12 Show InChI InChI=1S/C31H31NO5/c1-22(33)32-18-17-26-6-4-5-25-13-16-29(21-30(25)26)37-20-3-2-19-36-28-14-11-24(12-15-28)23-7-9-27(10-8-23)31(34)35/h4-16,21H,2-3,17-20H2,1H3,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316701 (CHEMBL1095505 | N-[2-(7-{4-[6-(1-Carboxyethyl)naph...) Show SMILES CC(C(O)=O)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1 Show InChI InChI=1S/C31H33NO5/c1-21(31(34)35)25-8-9-27-19-28(13-11-26(27)18-25)36-16-3-4-17-37-29-12-10-23-6-5-7-24(30(23)20-29)14-15-32-22(2)33/h5-13,18-21H,3-4,14-17H2,1-2H3,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125757 (CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316704 (CHEMBL1095522 | N-[2-(7-{4-[3-(2-Acetylaminoethyl)...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C30H35N3O4/c1-21(34)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)36-16-3-4-17-37-27-10-11-30-29(19-27)25(20-33-30)13-15-32-22(2)35/h5-11,18-20,33H,3-4,12-17H2,1-2H3,(H,31,34)(H,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair

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