Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50125644'   

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))	BDBM50125644 (4-((R)-6-Methoxy-indan-1-yl)-piperazine-1-carboxyl...) Show SMILES CCNC(=O)N1CCN(CC1)[C@@H]1CCc2ccc(OC)cc12 Show InChI InChI=1S/C17H25N3O2/c1-3-18-17(21)20-10-8-19(9-11-20)16-7-5-13-4-6-14(22-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3,(H,18,21)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125644 (4-((R)-6-Methoxy-indan-1-yl)-piperazine-1-carboxyl...) Show SMILES CCNC(=O)N1CCN(CC1)[C@@H]1CCc2ccc(OC)cc12 Show InChI InChI=1S/C17H25N3O2/c1-3-18-17(21)20-10-8-19(9-11-20)16-7-5-13-4-6-14(22-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3,(H,18,21)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Effective concentration of the compound against human MT2 (Melatonin) receptor stably expressed in NIH3T3 cells in adenylyl cyclase assay				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair