Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50015247   

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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153426 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H29NO2/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/h3-5,8-10,13-14,16,19,22H,2,6-7,11-12,15,17H2,1H3,(H,26,27)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153424 (CHEMBL186977 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H30N2O2/c1-2-25(28)26-20-15-16-27(18-20)23-13-8-14-24-22(23)17-21(29-24)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,17,20H,2,6-7,11-12,15-16,18H2,1H3,(H,26,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153420 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H27NO2/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/h2-4,7-9,12-13,15,19,22H,5-6,10-11,14,16H2,1H3,(H,25,26)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153426 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H29NO2/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/h3-5,8-10,13-14,16,19,22H,2,6-7,11-12,15,17H2,1H3,(H,26,27)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153423 (CHEMBL187186 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CC(C)C(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H31NO2/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/h3-5,8,10-11,13,16,18-19H,6-7,9,12,14-15,17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153424 (CHEMBL186977 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H30N2O2/c1-2-25(28)26-20-15-16-27(18-20)23-13-8-14-24-22(23)17-21(29-24)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,17,20H,2,6-7,11-12,15-16,18H2,1H3,(H,26,28)/t20-/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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153425 (CHEMBL183846 | Cyclopropanecarboxylic acid {3-[2-(...) Show SMILES O=C(NCCCc1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C25H29NO2/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/h1-3,6,8-9,11,14,18,21H,4-5,7,10,12-13,15-17H2,(H,26,27)	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153433 (CHEMBL184144 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-2-9-26(29)27-21-16-17-28(19-21)24-14-8-15-25-23(24)18-22(30-25)13-7-6-12-20-10-4-3-5-11-20/h3-5,8,10-11,14-15,18,21H,2,6-7,9,12-13,16-17,19H2,1H3,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153429 (CHEMBL363936 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H29NO2/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/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H,25,26)	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153420 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H27NO2/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/h2-4,7-9,12-13,15,19,22H,5-6,10-11,14,16H2,1H3,(H,25,26)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153422 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CCCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H31NO2/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/h3-5,8,10-11,14-15,17,20,23H,2,6-7,9,12-13,16,18H2,1H3,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153422 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CCCC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H31NO2/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/h3-5,8,10-11,14-15,17,20,23H,2,6-7,9,12-13,16,18H2,1H3,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153433 (CHEMBL184144 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-2-9-26(29)27-21-16-17-28(19-21)24-14-8-15-25-23(24)18-22(30-25)13-7-6-12-20-10-4-3-5-11-20/h3-5,8,10-11,14-15,18,21H,2,6-7,9,12-13,16-17,19H2,1H3,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153421 (CHEMBL188016 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H28N2O2/c1-18(27)25-20-14-15-26(17-20)23-12-7-13-24-22(23)16-21(28-24)11-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,12-13,16,20H,5-6,10-11,14-15,17H2,1H3,(H,25,27)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153435 (1-cyclopropylcarboxamidomethyl-2-[2-(4-phenylbutyl...) Show SMILES O=C(NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C26H29NO2/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/h1-3,6-8,11-12,16,19-20,23H,4-5,9-10,13-15,17H2,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153427 (CHEMBL184990 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CCCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H31NO2/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/h3-5,8,11-12,14,17,19H,2,6-7,9-10,13,15-16,18H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153434 (CHEMBL365852 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C23H27NO2/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/h2-4,7,9-10,12,15,17H,5-6,8,11,13-14,16H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153431 (1-Ethyl-3-{3-[2-(4-phenyl-butyl)-benzofuran-4-yl]-...) Show SMILES CCNC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H30N2O2/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/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153421 (CHEMBL188016 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H28N2O2/c1-18(27)25-20-14-15-26(17-20)23-12-7-13-24-22(23)16-21(28-24)11-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,12-13,16,20H,5-6,10-11,14-15,17H2,1H3,(H,25,27)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153436 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(C)C(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H31NO2/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/h3-5,8-10,13-14,16,18,20,23H,6-7,11-12,15,17H2,1-2H3,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153428 (1-Ethyl-3-{(1R,2R)-2-[2-(4-phenyl-butyl)-benzofura...) Show SMILES CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H30N2O2/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/h3-5,8-10,13-14,16,19,22H,2,6-7,11-12,15,17H2,1H3,(H2,26,27,28)/t19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153435 (1-cyclopropylcarboxamidomethyl-2-[2-(4-phenylbutyl...) Show SMILES O=C(NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C26H29NO2/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/h1-3,6-8,11-12,16,19-20,23H,4-5,9-10,13-15,17H2,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153430 (1-Ethyl-3-{(S)-1-[2-(4-phenyl-butyl)-benzofuran-4-...) Show SMILES CCNC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H31N3O2/c1-2-26-25(29)27-20-15-16-28(18-20)23-13-8-14-24-22(23)17-21(30-24)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,17,20H,2,6-7,11-12,15-16,18H2,1H3,(H2,26,27,29)/t20-/m0/s1	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153437 (CHEMBL363441 | Cyclopropanecarboxylic acid {(S)-1-...) Show SMILES O=C(N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C26H30N2O2/c29-26(20-13-14-20)27-21-15-16-28(18-21)24-11-6-12-25-23(24)17-22(30-25)10-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,11-12,17,20-21H,4-5,9-10,13-16,18H2,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153431 (1-Ethyl-3-{3-[2-(4-phenyl-butyl)-benzofuran-4-yl]-...) Show SMILES CCNC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H30N2O2/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/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153436 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(C)C(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H31NO2/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/h3-5,8-10,13-14,16,18,20,23H,6-7,11-12,15,17H2,1-2H3,(H,27,28)/t20-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153429 (CHEMBL363936 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H29NO2/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/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H,25,26)	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153427 (CHEMBL184990 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CCCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H31NO2/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/h3-5,8,11-12,14,17,19H,2,6-7,9-10,13,15-16,18H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153423 (CHEMBL187186 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CC(C)C(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H31NO2/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/h3-5,8,10-11,13,16,18-19H,6-7,9,12,14-15,17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153428 (1-Ethyl-3-{(1R,2R)-2-[2-(4-phenyl-butyl)-benzofura...) Show SMILES CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H30N2O2/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/h3-5,8-10,13-14,16,19,22H,2,6-7,11-12,15,17H2,1H3,(H2,26,27,28)/t19-,22+/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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153425 (CHEMBL183846 | Cyclopropanecarboxylic acid {3-[2-(...) Show SMILES O=C(NCCCc1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C25H29NO2/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/h1-3,6,8-9,11,14,18,21H,4-5,7,10,12-13,15-17H2,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153430 (1-Ethyl-3-{(S)-1-[2-(4-phenyl-butyl)-benzofuran-4-...) Show SMILES CCNC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C25H31N3O2/c1-2-26-25(29)27-20-15-16-28(18-20)23-13-8-14-24-22(23)17-21(30-24)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,17,20H,2,6-7,11-12,15-16,18H2,1H3,(H2,26,27,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153432 (CHEMBL184762 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CC(C)C(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-19(2)26(29)27-21-15-16-28(18-21)24-13-8-14-25-23(24)17-22(30-25)12-7-6-11-20-9-4-3-5-10-20/h3-5,8-10,13-14,17,19,21H,6-7,11-12,15-16,18H2,1-2H3,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153434 (CHEMBL365852 | N-{3-[2-(4-Phenyl-butyl)-benzofuran...) Show SMILES CC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C23H27NO2/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/h2-4,7,9-10,12,15,17H,5-6,8,11,13-14,16H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153437 (CHEMBL363441 | Cyclopropanecarboxylic acid {(S)-1-...) Show SMILES O=C(N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1 Show InChI InChI=1S/C26H30N2O2/c29-26(20-13-14-20)27-21-15-16-28(18-21)24-11-6-12-25-23(24)17-22(30-25)10-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,11-12,17,20-21H,4-5,9-10,13-16,18H2,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153432 (CHEMBL184762 | N-{(S)-1-[2-(4-Phenyl-butyl)-benzof...) Show SMILES CC(C)C(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C26H32N2O2/c1-19(2)26(29)27-21-15-16-28(18-21)24-13-8-14-25-23(24)17-22(30-25)12-7-6-11-20-9-4-3-5-10-20/h3-5,8-10,13-14,17,19,21H,6-7,11-12,15-16,18H2,1-2H3,(H,27,29)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	162	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 Inhibition of 2-[125I]-iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50153420 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H27NO2/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/h2-4,7-9,12-13,15,19,22H,5-6,10-11,14,16H2,1H3,(H,25,26)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity towards human Melatonin receptor type 1A was determined by its ability to inhibit forskolin stimulated cAMP accumulation				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50153420 (1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...) Show SMILES CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12 Show InChI InChI=1S/C24H27NO2/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/h2-4,7-9,12-13,15,19,22H,5-6,10-11,14,16H2,1H3,(H,25,26)/t19-,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity towards human Melatonin receptor type 1B was determined by its ability to inhibit forskolin stimulated cAMP accumulation				Bioorg Med Chem Lett 14: 5157-60 (2004) Article DOI: 10.1016/j.bmcl.2004.07.055 BindingDB Entry DOI: 10.7270/Q2M044XG
					More data for this Ligand-Target Pair