Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50003587   

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 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	0.282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					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	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85362 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5j) Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1 Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-12-16-14-17-18(10-7-11-19(17)24-2)22(16)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473389 (CHEMBL33346) Show SMILES CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-16-12-17-18(10-7-11-19(17)24-2)22(16)14-15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473402 (CHEMBL329979) Show SMILES COc1cccc2n(c(CCNC(C)=O)cc12)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-14(22)20-12-11-16-13-17-18(9-6-10-19(17)23-2)21(16)15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50240442 (CHEMBL33185 | N-((1-(4-chlorobenzyl)-4-methoxy-1H-...) Show SMILES CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN2O2/c1-3-20(24)22-12-16-11-17-18(5-4-6-19(17)25-2)23(16)13-14-7-9-15(21)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85359 Show SMILES CCC(=O)NCc1cc2c(OC)cccc2n1-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-3-19(22)20-13-15-12-16-17(10-7-11-18(16)23-2)21(15)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473392 (CHEMBL99001) Show SMILES CCC(=O)NCCCc1cc2c(OC)cccc2n1-c1ccccc1 Show InChI InChI=1S/C21H24N2O2/c1-3-21(24)22-14-8-11-17-15-18-19(12-7-13-20(18)25-2)23(17)16-9-5-4-6-10-16/h4-7,9-10,12-13,15H,3,8,11,14H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85361 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5h) Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H24N2O2/c1-3-21(24)22-13-12-17-14-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,14H,3,12-13,15H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473399 (CHEMBL318871) Show SMILES COc1cccc2n(c(CCNC(=O)C3CC3)cc12)-c1ccccc1 Show InChI InChI=1S/C21H22N2O2/c1-25-20-9-5-8-19-18(20)14-17(12-13-22-21(24)15-10-11-15)23(19)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473395 (CHEMBL99502) Show SMILES CCC(=O)NCCc1[nH]c2cccc(OC)c2c1Br Show InChI InChI=1S/C14H17BrN2O2/c1-3-12(18)16-8-7-10-14(15)13-9(17-10)5-4-6-11(13)19-2/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85362 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5j) Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1 Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-12-16-14-17-18(10-7-11-19(17)24-2)22(16)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473402 (CHEMBL329979) Show SMILES COc1cccc2n(c(CCNC(C)=O)cc12)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-14(22)20-12-11-16-13-17-18(9-6-10-19(17)23-2)21(16)15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473393 (CHEMBL99987) Show SMILES COc1cccc2n(c(CCNC(=O)C3CCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C22H24N2O2/c1-26-21-12-6-11-20-19(21)15-18(24(20)17-9-3-2-4-10-17)13-14-23-22(25)16-7-5-8-16/h2-4,6,9-12,15-16H,5,7-8,13-14H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85360 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5g) Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2[nH]1 Show InChI InChI=1S/C14H18N2O2/c1-3-14(17)15-8-7-10-9-11-12(16-10)5-4-6-13(11)18-2/h4-6,9,16H,3,7-8H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473400 (CHEMBL98520) Show SMILES COc1cccc2n(Cc3ccccc3)c(CNC(C)=O)c(Br)c12 Show InChI InChI=1S/C19H19BrN2O2/c1-13(23)21-11-16-19(20)18-15(9-6-10-17(18)24-2)22(16)12-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473395 (CHEMBL99502) Show SMILES CCC(=O)NCCc1[nH]c2cccc(OC)c2c1Br Show InChI InChI=1S/C14H17BrN2O2/c1-3-12(18)16-8-7-10-14(15)13-9(17-10)5-4-6-11(13)19-2/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473391 (CHEMBL98028) Show SMILES COc1ccc2c(Br)c(CCNC(C)=O)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C20H21BrN2O2/c1-14(24)22-11-10-18-20(21)17-9-8-16(25-2)12-19(17)23(18)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85360 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5g) Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2[nH]1 Show InChI InChI=1S/C14H18N2O2/c1-3-14(17)15-8-7-10-9-11-12(16-10)5-4-6-13(11)18-2/h4-6,9,16H,3,7-8H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85359 Show SMILES CCC(=O)NCc1cc2c(OC)cccc2n1-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-3-19(22)20-13-15-12-16-17(10-7-11-18(16)23-2)21(15)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473391 (CHEMBL98028) Show SMILES COc1ccc2c(Br)c(CCNC(C)=O)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C20H21BrN2O2/c1-14(24)22-11-10-18-20(21)17-9-8-16(25-2)12-19(17)23(18)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473388 (CHEMBL98956) Show SMILES CCC(=O)NCc1[nH]c2cc(OC)ccc2c1Br Show InChI InChI=1S/C13H15BrN2O2/c1-3-12(17)15-7-11-13(14)9-5-4-8(18-2)6-10(9)16-11/h4-6,16H,3,7H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473390 (CHEMBL97885) Show SMILES CCC(=O)NCc1cc2ccc(OC)cc2n1Cc1ccccc1 Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-17-11-16-9-10-18(24-2)12-19(16)22(17)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473388 (CHEMBL98956) Show SMILES CCC(=O)NCc1[nH]c2cc(OC)ccc2c1Br Show InChI InChI=1S/C13H15BrN2O2/c1-3-12(17)15-7-11-13(14)9-5-4-8(18-2)6-10(9)16-11/h4-6,16H,3,7H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85368 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 9) Show SMILES CCC(=O)NCc1cc2c(OC)cccc2[nH]1 Show InChI InChI=1S/C13H16N2O2/c1-3-13(16)14-8-9-7-10-11(15-9)5-4-6-12(10)17-2/h4-7,15H,3,8H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473392 (CHEMBL99001) Show SMILES CCC(=O)NCCCc1cc2c(OC)cccc2n1-c1ccccc1 Show InChI InChI=1S/C21H24N2O2/c1-3-21(24)22-14-8-11-17-15-18-19(12-7-13-20(18)25-2)23(17)16-9-5-4-6-10-16/h4-7,9-10,12-13,15H,3,8,11,14H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473399 (CHEMBL318871) Show SMILES COc1cccc2n(c(CCNC(=O)C3CC3)cc12)-c1ccccc1 Show InChI InChI=1S/C21H22N2O2/c1-25-20-9-5-8-19-18(20)14-17(12-13-22-21(24)15-10-11-15)23(19)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85370 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5k) Show SMILES COc1ccc2c(Br)c(CCNC(C)=O)[nH]c2c1 Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-11-13(14)10-4-3-9(18-2)7-12(10)16-11/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85368 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 9) Show SMILES CCC(=O)NCc1cc2c(OC)cccc2[nH]1 Show InChI InChI=1S/C13H16N2O2/c1-3-13(16)14-8-9-7-10-11(15-9)5-4-6-12(10)17-2/h4-7,15H,3,8H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473397 (CHEMBL34729) Show SMILES COc1cccc2[nH]c(CNC(=O)C3CCC3)cc12 Show InChI InChI=1S/C15H18N2O2/c1-19-14-7-3-6-13-12(14)8-11(17-13)9-16-15(18)10-4-2-5-10/h3,6-8,10,17H,2,4-5,9H2,1H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473389 (CHEMBL33346) Show SMILES CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-16-12-17-18(10-7-11-19(17)24-2)22(16)14-15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473401 (CHEMBL418789) Show SMILES COc1cccc2[nH]c(CCNC(C)=O)cc12 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-7-6-10-8-11-12(15-10)4-3-5-13(11)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473397 (CHEMBL34729) Show SMILES COc1cccc2[nH]c(CNC(=O)C3CCC3)cc12 Show InChI InChI=1S/C15H18N2O2/c1-19-14-7-3-6-13-12(14)8-11(17-13)9-16-15(18)10-4-2-5-10/h3,6-8,10,17H,2,4-5,9H2,1H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473393 (CHEMBL99987) Show SMILES COc1cccc2n(c(CCNC(=O)C3CCC3)cc12)-c1ccccc1 Show InChI InChI=1S/C22H24N2O2/c1-26-21-12-6-11-20-19(21)15-18(24(20)17-9-3-2-4-10-17)13-14-23-22(25)16-7-5-8-16/h2-4,6,9-12,15-16H,5,7-8,13-14H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85363 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 8) Show SMILES COc1cccc2[nH]c(CNC(C)=O)cc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-7-9-6-10-11(14-9)4-3-5-12(10)16-2/h3-6,14H,7H2,1-2H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85361 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5h) Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H24N2O2/c1-3-21(24)22-13-12-17-14-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,14H,3,12-13,15H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	832	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473401 (CHEMBL418789) Show SMILES COc1cccc2[nH]c(CCNC(C)=O)cc12 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-7-6-10-8-11-12(15-10)4-3-5-13(11)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	933	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85365 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5i) Show SMILES COc1ccc2cc(CCNC(C)=O)n(C)c2c1 Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-7-6-12-8-11-4-5-13(18-3)9-14(11)16(12)2/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85363 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 8) Show SMILES COc1cccc2[nH]c(CNC(C)=O)cc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-7-9-6-10-11(14-9)4-3-5-12(10)16-2/h3-6,14H,7H2,1-2H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473390 (CHEMBL97885) Show SMILES CCC(=O)NCc1cc2ccc(OC)cc2n1Cc1ccccc1 Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-17-11-16-9-10-18(24-2)12-19(16)22(17)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50240442 (CHEMBL33185 | N-((1-(4-chlorobenzyl)-4-methoxy-1H-...) Show SMILES CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN2O2/c1-3-20(24)22-12-16-11-17-18(5-4-6-19(17)25-2)23(16)13-14-7-9-15(21)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473394 (CHEMBL99091) Show SMILES COc1ccc2cc(CCNC(C)=O)[nH]c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-11-7-10-3-4-12(17-2)8-13(10)15-11/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473398 (CHEMBL99083) Show SMILES CC(=O)NCCc1cc2ccccc2[nH]1 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-11-8-10-4-2-3-5-12(10)14-11/h2-5,8,14H,6-7H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85365 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5i) Show SMILES COc1ccc2cc(CCNC(C)=O)n(C)c2c1 Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-7-6-12-8-11-4-5-13(18-3)9-14(11)16(12)2/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473398 (CHEMBL99083) Show SMILES CC(=O)NCCc1cc2ccccc2[nH]1 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-11-8-10-4-2-3-5-12(10)14-11/h2-5,8,14H,6-7H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85366 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 13) Show SMILES COc1ccc2[nH]c(CCCNC(C)=O)cc2c1 Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-7-3-4-12-8-11-9-13(18-2)5-6-14(11)16-12/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473400 (CHEMBL98520) Show SMILES COc1cccc2n(Cc3ccccc3)c(CNC(C)=O)c(Br)c12 Show InChI InChI=1S/C19H19BrN2O2/c1-13(23)21-11-16-19(20)18-15(9-6-10-17(18)24-2)22(16)12-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50473396 (CHEMBL316952) Show SMILES COc1cccc2cc(CCNC(C)=O)[nH]c12 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-7-6-11-8-10-4-3-5-12(17-2)13(10)15-11/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM85370 (N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5k) Show SMILES COc1ccc2c(Br)c(CCNC(C)=O)[nH]c2c1 Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-11-13(14)10-4-3-9(18-2)7-12(10)16-11/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50473396 (CHEMBL316952) Show SMILES COc1cccc2cc(CCNC(C)=O)[nH]c12 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-7-6-11-8-10-4-3-5-12(17-2)13(10)15-11/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair

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