Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50015831   

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	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					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	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161387 (CHEMBL178678 | N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-di...) Show SMILES CCC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C24H31NO2/c1-2-24(26)25-17-9-14-20-13-8-16-23-22(20)18-21(27-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,21H,2,6-7,9,12,14-15,17-18H2,1H3,(H,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161377 (CHEMBL367797 | N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl...) Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C25H31NO2/c1-2-25(27)26-17-19-15-22(19)21-13-8-14-24-23(21)16-20(28-24)12-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,13-14,19-20,22H,2,6-7,11-12,15-17H2,1H3,(H,26,27)/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161381 (CHEMBL361410 | Cyclopropanecarboxylic acid {(1R,2R...) Show SMILES O=C(NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12)C1CC1 Show InChI InChI=1S/C26H31NO2/c28-26(19-13-14-19)27-17-20-15-23(20)22-11-6-12-25-24(22)16-21(29-25)10-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,11-12,19-21,23H,4-5,9-10,13-17H2,(H,27,28)/t20-,21+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161380 (CHEMBL359921 | N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl...) Show SMILES CC(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C24H29NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,19-20,22H,5-6,10-11,14-16H2,1H3,(H,25,26)/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161377 (CHEMBL367797 | N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl...) Show SMILES CCC(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C25H31NO2/c1-2-25(27)26-17-19-15-22(19)21-13-8-14-24-23(21)16-20(28-24)12-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,13-14,19-20,22H,2,6-7,11-12,15-17H2,1H3,(H,26,27)/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161378 (CHEMBL367604 | N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl...) Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C26H33NO2/c1-2-9-26(28)27-18-20-16-23(20)22-14-8-15-25-24(22)17-21(29-25)13-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,14-15,20-21,23H,2,6-7,9,12-13,16-18H2,1H3,(H,27,28)/t20-,21+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161383 (CHEMBL368886 | N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-di...) Show SMILES CCCC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C25H33NO2/c1-2-10-25(27)26-18-9-15-21-14-8-17-24-23(21)19-22(28-24)16-7-6-13-20-11-4-3-5-12-20/h3-5,8,11-12,14,17,22H,2,6-7,9-10,13,15-16,18-19H2,1H3,(H,26,27)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161380 (CHEMBL359921 | N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl...) Show SMILES CC(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C24H29NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,19-20,22H,5-6,10-11,14-16H2,1H3,(H,25,26)/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161378 (CHEMBL367604 | N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl...) Show SMILES CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C26H33NO2/c1-2-9-26(28)27-18-20-16-23(20)22-14-8-15-25-24(22)17-21(29-25)13-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,14-15,20-21,23H,2,6-7,9,12-13,16-18H2,1H3,(H,27,28)/t20-,21+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161375 (CHEMBL181974 | Cyclopropanecarboxylic acid {3-[(R)...) Show SMILES O=C(NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12)C1CC1 Show InChI InChI=1S/C25H31NO2/c27-25(21-15-16-21)26-17-7-12-20-11-6-14-24-23(20)18-22(28-24)13-5-4-10-19-8-2-1-3-9-19/h1-3,6,8-9,11,14,21-22H,4-5,7,10,12-13,15-18H2,(H,26,27)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161384 (CHEMBL181687 | N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-di...) Show SMILES CC(C)C(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C25H33NO2/c1-19(2)25(27)26-17-9-14-21-13-8-16-24-23(21)18-22(28-24)15-7-6-12-20-10-4-3-5-11-20/h3-5,8,10-11,13,16,19,22H,6-7,9,12,14-15,17-18H2,1-2H3,(H,26,27)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161382 (CHEMBL362849 | N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-di...) Show SMILES CC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C23H29NO2/c1-18(25)24-16-8-13-20-12-7-15-23-22(20)17-21(26-23)14-6-5-11-19-9-3-2-4-10-19/h2-4,7,9-10,12,15,21H,5-6,8,11,13-14,16-17H2,1H3,(H,24,25)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161381 (CHEMBL361410 | Cyclopropanecarboxylic acid {(1R,2R...) Show SMILES O=C(NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12)C1CC1 Show InChI InChI=1S/C26H31NO2/c28-26(19-13-14-19)27-17-20-15-23(20)22-11-6-12-25-24(22)16-21(29-25)10-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,11-12,19-21,23H,4-5,9-10,13-17H2,(H,27,28)/t20-,21+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161376 (CHEMBL361854 | N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl...) Show SMILES CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C26H33NO2/c1-18(2)26(28)27-17-20-15-23(20)22-13-8-14-25-24(22)16-21(29-25)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,18,20-21,23H,6-7,11-12,15-17H2,1-2H3,(H,27,28)/t20-,21+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161382 (CHEMBL362849 | N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-di...) Show SMILES CC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C23H29NO2/c1-18(25)24-16-8-13-20-12-7-15-23-22(20)17-21(26-23)14-6-5-11-19-9-3-2-4-10-19/h2-4,7,9-10,12,15,21H,5-6,8,11,13-14,16-17H2,1H3,(H,24,25)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161386 (1-Ethyl-3-{(1R,2R)-2-[(R)-2-(4-phenyl-butyl)-2,3-d...) Show SMILES CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C25H32N2O2/c1-2-26-25(28)27-17-19-15-22(19)21-13-8-14-24-23(21)16-20(29-24)12-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,13-14,19-20,22H,2,6-7,11-12,15-17H2,1H3,(H2,26,27,28)/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161385 (1-Ethyl-3-{3-[(R)-2-(4-phenyl-butyl)-2,3-dihydro-b...) Show SMILES CCNC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C24H32N2O2/c1-2-25-24(27)26-17-9-14-20-13-8-16-23-22(20)18-21(28-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,21H,2,6-7,9,12,14-15,17-18H2,1H3,(H2,25,26,27)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161387 (CHEMBL178678 | N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-di...) Show SMILES CCC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C24H31NO2/c1-2-24(26)25-17-9-14-20-13-8-16-23-22(20)18-21(27-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,21H,2,6-7,9,12,14-15,17-18H2,1H3,(H,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161375 (CHEMBL181974 | Cyclopropanecarboxylic acid {3-[(R)...) Show SMILES O=C(NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12)C1CC1 Show InChI InChI=1S/C25H31NO2/c27-25(21-15-16-21)26-17-7-12-20-11-6-14-24-23(20)18-22(28-24)13-5-4-10-19-8-2-1-3-9-19/h1-3,6,8-9,11,14,21-22H,4-5,7,10,12-13,15-18H2,(H,26,27)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161383 (CHEMBL368886 | N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-di...) Show SMILES CCCC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C25H33NO2/c1-2-10-25(27)26-18-9-15-21-14-8-17-24-23(21)19-22(28-24)16-7-6-13-20-11-4-3-5-12-20/h3-5,8,11-12,14,17,22H,2,6-7,9-10,13,15-16,18-19H2,1H3,(H,26,27)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161384 (CHEMBL181687 | N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-di...) Show SMILES CC(C)C(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C25H33NO2/c1-19(2)25(27)26-17-9-14-21-13-8-16-24-23(21)18-22(28-24)15-7-6-12-20-10-4-3-5-11-20/h3-5,8,10-11,13,16,19,22H,6-7,9,12,14-15,17-18H2,1-2H3,(H,26,27)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161385 (1-Ethyl-3-{3-[(R)-2-(4-phenyl-butyl)-2,3-dihydro-b...) Show SMILES CCNC(=O)NCCCc1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C24H32N2O2/c1-2-25-24(27)26-17-9-14-20-13-8-16-23-22(20)18-21(28-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,21H,2,6-7,9,12,14-15,17-18H2,1H3,(H2,25,26,27)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161386 (1-Ethyl-3-{(1R,2R)-2-[(R)-2-(4-phenyl-butyl)-2,3-d...) Show SMILES CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C25H32N2O2/c1-2-26-25(28)27-17-19-15-22(19)21-13-8-14-24-23(21)16-20(29-24)12-7-6-11-18-9-4-3-5-10-18/h3-5,8-10,13-14,19-20,22H,2,6-7,11-12,15-17H2,1H3,(H2,26,27,28)/t19-,20+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50161379 (1-{(1R,2R)-2-[(R)-5-Chloro-2-(4-phenyl-butyl)-2,3-...) Show SMILES CCNC(=O)NC[C@@H]1C[C@H]1c1c2C[C@@H](CCCCc3ccccc3)Oc2ccc1Cl Show InChI InChI=1S/C25H31ClN2O2/c1-2-27-25(29)28-16-18-14-20(18)24-21-15-19(30-23(21)13-12-22(24)26)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-13,18-20H,2,6-7,10-11,14-16H2,1H3,(H2,27,28,29)/t18-,19+,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161376 (CHEMBL361854 | N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl...) Show SMILES CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C26H33NO2/c1-18(2)26(28)27-17-20-15-23(20)22-13-8-14-25-24(22)16-21(29-25)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,18,20-21,23H,6-7,11-12,15-17H2,1-2H3,(H,27,28)/t20-,21+,23+/m0/s1	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50161379 (1-{(1R,2R)-2-[(R)-5-Chloro-2-(4-phenyl-butyl)-2,3-...) Show SMILES CCNC(=O)NC[C@@H]1C[C@H]1c1c2C[C@@H](CCCCc3ccccc3)Oc2ccc1Cl Show InChI InChI=1S/C25H31ClN2O2/c1-2-27-25(29)28-16-18-14-20(18)24-21-15-19(30-23(21)13-12-22(24)26)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-13,18-20H,2,6-7,10-11,14-16H2,1H3,(H2,27,28,29)/t18-,19+,20+/m0/s1	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair