Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50464405'   

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))	BDBM50464405 (CHEMBL4281915) Show SMILES CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C17H20N2OS/c1-18-17(21)19-10-13-6-5-12-4-3-11-7-8-14(20-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille 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				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50464405 (CHEMBL4281915) Show SMILES CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C17H20N2OS/c1-18-17(21)19-10-13-6-5-12-4-3-11-7-8-14(20-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille 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				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50464405 (CHEMBL4281915) Show SMILES CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C17H20N2OS/c1-18-17(21)19-10-13-6-5-12-4-3-11-7-8-14(20-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille 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				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50464405 (CHEMBL4281915) Show SMILES CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C17H20N2OS/c1-18-17(21)19-10-13-6-5-12-4-3-11-7-8-14(20-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,21)	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	8	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50464405 (CHEMBL4281915) Show SMILES CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12 Show InChI InChI=1S/C17H20N2OS/c1-18-17(21)19-10-13-6-5-12-4-3-11-7-8-14(20-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,21)	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	8	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair