Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50017920   

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))	BDBM50188394 ((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...) Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1 Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188394 ((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...) Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1 Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188417 (CHEMBL377101 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C17H24N2O2/c1-5-6-17(20)18-10-12(2)15-11-19(3)16-8-7-13(21-4)9-14(15)16/h7-9,11-12H,5-6,10H2,1-4H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188394 ((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...) Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1 Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188406 (CHEMBL207745 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C18H26N2O2/c1-6-7-17(21)19-12-18(2,3)15-11-20(4)16-9-8-13(22-5)10-14(15)16/h8-11H,6-7,12H2,1-5H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188408 (CHEMBL207625 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCCC(=O)NCC1(CCC1)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C19H26N2O2/c1-4-6-18(22)20-13-19(9-5-10-19)16-12-21(2)17-8-7-14(23-3)11-15(16)17/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188402 (CHEMBL379616 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C16H22N2O2/c1-5-16(19)17-9-11(2)14-10-18(3)15-7-6-12(20-4)8-13(14)15/h6-8,10-11H,5,9H2,1-4H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188411 (CHEMBL426127 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C17H24N2O2/c1-6-16(20)18-11-17(2,3)14-10-19(4)15-8-7-12(21-5)9-13(14)15/h7-10H,6,11H2,1-5H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188420 (CHEMBL208307 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C(C)(C)CNC(C)=O Show InChI InChI=1S/C16H22N2O2/c1-11(19)17-10-16(2,3)14-9-18(4)15-7-6-12(20-5)8-13(14)15/h6-9H,10H2,1-5H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188423 (CHEMBL206472 | beta,beta-dimethylmelatonin) Show SMILES COc1ccc2[nH]cc(c2c1)C(C)(C)CNC(C)=O Show InChI InChI=1S/C15H20N2O2/c1-10(18)17-9-15(2,3)13-8-16-14-6-5-11(19-4)7-12(13)14/h5-8,16H,9H2,1-4H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188412 (CHEMBL210147 | beta-methylmelatonin) Show SMILES COc1ccc2[nH]cc(C(C)CNC(C)=O)c2c1 Show InChI InChI=1S/C14H18N2O2/c1-9(7-15-10(2)17)13-8-16-14-5-4-11(18-3)6-12(13)14/h4-6,8-9,16H,7H2,1-3H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188400 (CHEMBL207960 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...) Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(C)=O)CCC1 Show InChI InChI=1S/C16H20N2O2/c1-11(19)18-10-16(6-3-7-16)14-9-17-15-5-4-12(20-2)8-13(14)15/h4-5,8-9,17H,3,6-7,10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188401 (CHEMBL424693 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCC(=O)NCC1(CCC1)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C18H24N2O2/c1-4-17(21)19-12-18(8-5-9-18)15-11-20(2)16-7-6-13(22-3)10-14(15)16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188422 (CHEMBL209712 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCCC(=O)NCC1(CC1)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C18H24N2O2/c1-4-5-17(21)19-12-18(8-9-18)15-11-20(2)16-7-6-13(22-3)10-14(15)16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188413 (CHEMBL206790 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...) Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(=O)C2CC2)CCC1 Show InChI InChI=1S/C18H22N2O2/c1-22-13-5-6-16-14(9-13)15(10-19-16)18(7-2-8-18)11-20-17(21)12-3-4-12/h5-6,9-10,12,19H,2-4,7-8,11H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188416 (CHEMBL207420 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...) Show SMILES CCC(=O)NCC1(CCC1)c1c[nH]c2ccc(OC)cc12 Show InChI InChI=1S/C17H22N2O2/c1-3-16(20)19-11-17(7-4-8-17)14-10-18-15-6-5-12(21-2)9-13(14)15/h5-6,9-10,18H,3-4,7-8,11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188403 (CHEMBL382439 | N-(2-(5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C(C)(C)CNC(=O)C1CCC1 Show InChI InChI=1S/C19H26N2O2/c1-19(2,12-20-18(22)13-6-5-7-13)16-11-21(3)17-9-8-14(23-4)10-15(16)17/h8-11,13H,5-7,12H2,1-4H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188410 (CHEMBL377871 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCC(=O)NCC1(CC1)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C17H22N2O2/c1-4-16(20)18-11-17(7-8-17)14-10-19(2)15-6-5-12(21-3)9-13(14)15/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188397 (CHEMBL207676 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...) Show SMILES CCCC(=O)NCC1(CCC1)c1c[nH]c2ccc(OC)cc12 Show InChI InChI=1S/C18H24N2O2/c1-3-5-17(21)20-12-18(8-4-9-18)15-11-19-16-7-6-13(22-2)10-14(15)16/h6-7,10-11,19H,3-5,8-9,12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188395 (CHEMBL377809 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...) Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(=O)C2CCC2)CCC1 Show InChI InChI=1S/C19H24N2O2/c1-23-14-6-7-17-15(10-14)16(11-20-17)19(8-3-9-19)12-21-18(22)13-4-2-5-13/h6-7,10-11,13,20H,2-5,8-9,12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188414 (CHEMBL379403 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(C)=O)CCCC1 Show InChI InChI=1S/C18H24N2O2/c1-13(21)19-12-18(8-4-5-9-18)16-11-20(2)17-7-6-14(22-3)10-15(16)17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188419 (CHEMBL379413 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(C)=O)CCC1 Show InChI InChI=1S/C17H22N2O2/c1-12(20)18-11-17(7-4-8-17)15-10-19(2)16-6-5-13(21-3)9-14(15)16/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188396 (CHEMBL206419 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCCC(=O)NCC1(CCCC1)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C20H28N2O2/c1-4-7-19(23)21-14-20(10-5-6-11-20)17-13-22(2)18-9-8-15(24-3)12-16(17)18/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188424 (CHEMBL209711 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(C)=O)CC1 Show InChI InChI=1S/C16H20N2O2/c1-11(19)17-10-16(6-7-16)14-9-18(2)15-5-4-12(20-3)8-13(14)15/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188404 (CHEMBL382555 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES CCC(=O)NCC1(CCCC1)c1cn(C)c2ccc(OC)cc12 Show InChI InChI=1S/C19H26N2O2/c1-4-18(22)20-13-19(9-5-6-10-19)16-12-21(2)17-8-7-14(23-3)11-15(16)17/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188405 (CHEMBL382579 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(=O)C2CC2)CCC1 Show InChI InChI=1S/C19H24N2O2/c1-21-11-16(15-10-14(23-2)6-7-17(15)21)19(8-3-9-19)12-20-18(22)13-4-5-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188415 (CHEMBL206471 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(=O)C2CC2)CCCC1 Show InChI InChI=1S/C20H26N2O2/c1-22-12-17(16-11-15(24-2)7-8-18(16)22)20(9-3-4-10-20)13-21-19(23)14-5-6-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188425 (CHEMBL207959 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(=O)C2CCC2)CCCC1 Show InChI InChI=1S/C21H28N2O2/c1-23-13-18(17-12-16(25-2)8-9-19(17)23)21(10-3-4-11-21)14-22-20(24)15-6-5-7-15/h8-9,12-13,15H,3-7,10-11,14H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188409 (CHEMBL426861 | N-(2-[1-methyl-1H-indol-3-yl]-2,2-t...) Show SMILES CCC(=O)NCC1(CCC1)c1cn(C)c2ccc(O)cc12 Show InChI InChI=1S/C17H22N2O2/c1-3-16(21)18-11-17(7-4-8-17)14-10-19(2)15-6-5-12(20)9-13(14)15/h5-6,9-10,20H,3-4,7-8,11H2,1-2H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188421 (CHEMBL379504 | N-(2-[1-methyl-1H-indol-3-yl]-2,2-t...) Show SMILES CC(=O)NCC1(CCC1)c1cn(C)c2ccc(O)cc12 Show InChI InChI=1S/C16H20N2O2/c1-11(19)17-10-16(6-3-7-16)14-9-18(2)15-5-4-12(20)8-13(14)15/h4-5,8-9,20H,3,6-7,10H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188399 (CHEMBL208802 | N-(2-[1-methyl-1H-indol-3-yl]-2,2-t...) Show SMILES Cn1cc(c2cc(O)ccc12)C1(CNC(=O)C2CC2)CCC1 Show InChI InChI=1S/C18H22N2O2/c1-20-10-15(14-9-13(21)5-6-16(14)20)18(7-2-8-18)11-19-17(22)12-3-4-12/h5-6,9-10,12,21H,2-4,7-8,11H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188418 (CHEMBL379096 | N-(2-[1-methyl-1H-indol-3-yl]-2,2-t...) Show SMILES CCCC(=O)NCC1(CCC1)c1cn(C)c2ccc(O)cc12 Show InChI InChI=1S/C18H24N2O2/c1-3-5-17(22)19-12-18(8-4-9-18)15-11-20(2)16-7-6-13(21)10-14(15)16/h6-7,10-11,21H,3-5,8-9,12H2,1-2H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188398 (CHEMBL206686 | N-(2-[1-methyl-1H-indol-3-yl]-2,2-t...) Show SMILES Cn1cc(c2cc(O)ccc12)C1(CNC(=O)C2CCC2)CCC1 Show InChI InChI=1S/C19H24N2O2/c1-21-11-16(15-10-14(22)6-7-17(15)21)19(8-3-9-19)12-20-18(23)13-4-2-5-13/h6-7,10-11,13,22H,2-5,8-9,12H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50188407 (CHEMBL382050 | N-(2-[5-methoxy-1-methyl-1H-indol-3...) Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(=O)C2CCC2)CCC1 Show InChI InChI=1S/C20H26N2O2/c1-22-12-17(16-11-15(24-2)7-8-18(16)22)20(9-4-10-20)13-21-19(23)14-5-3-6-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair