Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50316701'   

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))	BDBM50316701 (CHEMBL1095505 | N-[2-(7-{4-[6-(1-Carboxyethyl)naph...) Show SMILES CC(C(O)=O)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1 Show InChI InChI=1S/C31H33NO5/c1-21(31(34)35)25-8-9-27-19-28(13-11-26(27)18-25)36-16-3-4-17-37-29-12-10-23-6-5-7-24(30(23)20-29)14-15-32-22(2)33/h5-13,18-21H,3-4,14-17H2,1-2H3,(H,32,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50316701 (CHEMBL1095505 | N-[2-(7-{4-[6-(1-Carboxyethyl)naph...) Show SMILES CC(C(O)=O)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1 Show InChI InChI=1S/C31H33NO5/c1-21(31(34)35)25-8-9-27-19-28(13-11-26(27)18-25)36-16-3-4-17-37-29-12-10-23-6-5-7-24(30(23)20-29)14-15-32-22(2)33/h5-13,18-21H,3-4,14-17H2,1-2H3,(H,32,33)(H,34,35)	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	161	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Agonist activity at human human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Bioorg Med Chem 18: 3426-36 (2010) Article DOI: 10.1016/j.bmc.2010.04.008 BindingDB Entry DOI: 10.7270/Q29S1S07
					More data for this Ligand-Target Pair