Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50025879   

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	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					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	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260394 (5-MCA-NAT | 5-methoxycarbonylamino-N-acetyltryptam...) Show SMILES COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260402 (CHEMBL505744 | N-(2-(5-Methylcarbamoyl-benzo[b]fur...) Show SMILES CNC(=O)c1ccc2occ(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H16N2O3/c1-9(17)16-6-5-11-8-19-13-4-3-10(7-12(11)13)14(18)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260398 (CHEMBL494566 | N-(2-(5-Methoxycarbonyl-benzo[b]fur...) Show SMILES COC(=O)c1ccc2occ(CCNC(=O)C3CCCC3)c2c1 Show InChI InChI=1S/C18H21NO4/c1-22-18(21)13-6-7-16-15(10-13)14(11-23-16)8-9-19-17(20)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260410 (CHEMBL493424 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)CC=C)c2c1 Show InChI InChI=1S/C16H18N2O4/c1-3-4-15(19)17-8-7-11-10-22-14-6-5-12(9-13(11)14)18-16(20)21-2/h3,5-6,9-10H,1,4,7-8H2,2H3,(H,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260400 (CHEMBL522528 | N-(2-(5-Carboxamido-benzo[b]furan-3...) Show SMILES CC(=O)NCCc1coc2ccc(cc12)C(N)=O Show InChI InChI=1S/C13H14N2O3/c1-8(16)15-5-4-10-7-18-12-3-2-9(13(14)17)6-11(10)12/h2-3,6-7H,4-5H2,1H3,(H2,14,17)(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260402 (CHEMBL505744 | N-(2-(5-Methylcarbamoyl-benzo[b]fur...) Show SMILES CNC(=O)c1ccc2occ(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H16N2O3/c1-9(17)16-6-5-11-8-19-13-4-3-10(7-12(11)13)14(18)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,18)(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260404 (CHEMBL522674 | N-(2-(5-Methylcarbamoyl-benzo[b]fur...) Show SMILES CNC(=O)c1ccc2occ(CCNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C16H18N2O3/c1-17-15(19)11-4-5-14-13(8-11)12(9-21-14)6-7-18-16(20)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260411 (CHEMBL493607 | N-(2-(5-Trifluoroacetamido-benzo[b]...) Show SMILES CC(=O)NCCc1coc2ccc(NC(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C14H13F3N2O3/c1-8(20)18-5-4-9-7-22-12-3-2-10(6-11(9)12)19-13(21)14(15,16)17/h2-3,6-7H,4-5H2,1H3,(H,18,20)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260410 (CHEMBL493424 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)CC=C)c2c1 Show InChI InChI=1S/C16H18N2O4/c1-3-4-15(19)17-8-7-11-10-22-14-6-5-12(9-13(11)14)18-16(20)21-2/h3,5-6,9-10H,1,4,7-8H2,2H3,(H,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260398 (CHEMBL494566 | N-(2-(5-Methoxycarbonyl-benzo[b]fur...) Show SMILES COC(=O)c1ccc2occ(CCNC(=O)C3CCCC3)c2c1 Show InChI InChI=1S/C18H21NO4/c1-22-18(21)13-6-7-16-15(10-13)14(11-23-16)8-9-19-17(20)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260394 (5-MCA-NAT | 5-methoxycarbonylamino-N-acetyltryptam...) Show SMILES COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260407 (CHEMBL521826 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)C(C)C)c2c1 Show InChI InChI=1S/C16H20N2O4/c1-10(2)15(19)17-7-6-11-9-22-14-5-4-12(8-13(11)14)18-16(20)21-3/h4-5,8-10H,6-7H2,1-3H3,(H,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260408 (CHEMBL493414 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)C3CCCC3)c2c1 Show InChI InChI=1S/C18H22N2O4/c1-23-18(22)20-14-6-7-16-15(10-14)13(11-24-16)8-9-19-17(21)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,21)(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260408 (CHEMBL493414 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)C3CCCC3)c2c1 Show InChI InChI=1S/C18H22N2O4/c1-23-18(22)20-14-6-7-16-15(10-14)13(11-24-16)8-9-19-17(21)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,21)(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260407 (CHEMBL521826 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)C(C)C)c2c1 Show InChI InChI=1S/C16H20N2O4/c1-10(2)15(19)17-7-6-11-9-22-14-5-4-12(8-13(11)14)18-16(20)21-3/h4-5,8-10H,6-7H2,1-3H3,(H,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260395 (CHEMBL495232 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C16H18N2O4/c1-21-16(20)18-12-4-5-14-13(8-12)11(9-22-14)6-7-17-15(19)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260395 (CHEMBL495232 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C16H18N2O4/c1-21-16(20)18-12-4-5-14-13(8-12)11(9-22-14)6-7-17-15(19)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260399 (CHEMBL494567 | N-(2-(5-Methoxycarbonyl-benzo[b]fur...) Show SMILES COC(=O)c1ccc2occ(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C17H15NO5/c1-21-17(20)11-4-5-14-13(9-11)12(10-23-14)6-7-18-16(19)15-3-2-8-22-15/h2-5,8-10H,6-7H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260399 (CHEMBL494567 | N-(2-(5-Methoxycarbonyl-benzo[b]fur...) Show SMILES COC(=O)c1ccc2occ(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C17H15NO5/c1-21-17(20)11-4-5-14-13(9-11)12(10-23-14)6-7-18-16(19)15-3-2-8-22-15/h2-5,8-10H,6-7H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260400 (CHEMBL522528 | N-(2-(5-Carboxamido-benzo[b]furan-3...) Show SMILES CC(=O)NCCc1coc2ccc(cc12)C(N)=O Show InChI InChI=1S/C13H14N2O3/c1-8(16)15-5-4-10-7-18-12-3-2-9(13(14)17)6-11(10)12/h2-3,6-7H,4-5H2,1H3,(H2,14,17)(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260409 (CHEMBL521827 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C17H16N2O5/c1-22-17(21)19-12-4-5-14-13(9-12)11(10-24-14)6-7-18-16(20)15-3-2-8-23-15/h2-5,8-10H,6-7H2,1H3,(H,18,20)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260401 (3-(2-(furan-2-carboxamido)ethyl)benzofuran-5-carbo...) Show SMILES NC(=O)c1ccc2occ(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C16H14N2O4/c17-15(19)10-3-4-13-12(8-10)11(9-22-13)5-6-18-16(20)14-2-1-7-21-14/h1-4,7-9H,5-6H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260411 (CHEMBL493607 | N-(2-(5-Trifluoroacetamido-benzo[b]...) Show SMILES CC(=O)NCCc1coc2ccc(NC(=O)C(F)(F)F)cc12 Show InChI InChI=1S/C14H13F3N2O3/c1-8(20)18-5-4-9-7-22-12-3-2-10(6-11(9)12)19-13(21)14(15,16)17/h2-3,6-7H,4-5H2,1H3,(H,18,20)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50260405 (CHEMBL493579 | N-(2-(5-Methylcarbamoyl-benzo[b]fur...) Show SMILES CNC(=O)c1ccc2occ(CCNC(=O)C3CCCC3)c2c1 Show InChI InChI=1S/C18H22N2O3/c1-19-17(21)13-6-7-16-15(10-13)14(11-23-16)8-9-20-18(22)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,21)(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260404 (CHEMBL522674 | N-(2-(5-Methylcarbamoyl-benzo[b]fur...) Show SMILES CNC(=O)c1ccc2occ(CCNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C16H18N2O3/c1-17-15(19)11-4-5-14-13(8-11)12(9-21-14)6-7-18-16(20)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260405 (CHEMBL493579 | N-(2-(5-Methylcarbamoyl-benzo[b]fur...) Show SMILES CNC(=O)c1ccc2occ(CCNC(=O)C3CCCC3)c2c1 Show InChI InChI=1S/C18H22N2O3/c1-19-17(21)13-6-7-16-15(10-13)14(11-23-16)8-9-20-18(22)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,21)(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260409 (CHEMBL521827 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C17H16N2O5/c1-22-17(21)19-12-4-5-14-13(9-12)11(10-24-14)6-7-18-16(20)15-3-2-8-23-15/h2-5,8-10H,6-7H2,1H3,(H,18,20)(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50260401 (3-(2-(furan-2-carboxamido)ethyl)benzofuran-5-carbo...) Show SMILES NC(=O)c1ccc2occ(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C16H14N2O4/c17-15(19)10-3-4-13-12(8-10)11(9-22-13)5-6-18-16(20)14-2-1-7-21-14/h1-4,7-9H,5-6H2,(H2,17,19)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN
					More data for this Ligand-Target Pair