Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50263729'   

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))	BDBM50263729 (CHEMBL4074273) Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1 Show InChI InChI=1S/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263729 (CHEMBL4074273) Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1 Show InChI InChI=1S/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263729 (CHEMBL4074273) Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1 Show InChI InChI=1S/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50263729 (CHEMBL4074273) Show SMILES CC(=O)NCC1CN(c2ccccc2)c2ccccc2C1 Show InChI InChI=1S/C18H20N2O/c1-14(21)19-12-15-11-16-7-5-6-10-18(16)20(13-15)17-8-3-2-4-9-17/h2-10,15H,11-13H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					More data for this Ligand-Target Pair