null

SMILES: COc1ccc2ccc3CCC(CNS(C)(=O)=O)c3c2c1

InChI Key: InChIKey=HVMQNZKJECYRTM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50464406   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50464406 (CHEMBL4280601) Show SMILES COc1ccc2ccc3CCC(CNS(C)(=O)=O)c3c2c1 Show InChI InChI=1S/C16H19NO3S/c1-20-14-8-7-11-3-4-12-5-6-13(10-17-21(2,18)19)16(12)15(11)9-14/h3-4,7-9,13,17H,5-6,10H2,1-2H3	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	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Agonist activity at human MT2 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))	BDBM50464406 (CHEMBL4280601) Show SMILES COc1ccc2ccc3CCC(CNS(C)(=O)=O)c3c2c1 Show InChI InChI=1S/C16H19NO3S/c1-20-14-8-7-11-3-4-12-5-6-13(10-17-21(2,18)19)16(12)15(11)9-14/h3-4,7-9,13,17H,5-6,10H2,1-2H3	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	4	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 1B (Homo sapiens (Human))	BDBM50464406 (CHEMBL4280601) Show SMILES COc1ccc2ccc3CCC(CNS(C)(=O)=O)c3c2c1 Show InChI InChI=1S/C16H19NO3S/c1-20-14-8-7-11-3-4-12-5-6-13(10-17-21(2,18)19)16(12)15(11)9-14/h3-4,7-9,13,17H,5-6,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	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 MT2 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))	BDBM50464406 (CHEMBL4280601) Show SMILES COc1ccc2ccc3CCC(CNS(C)(=O)=O)c3c2c1 Show InChI InChI=1S/C16H19NO3S/c1-20-14-8-7-11-3-4-12-5-6-13(10-17-21(2,18)19)16(12)15(11)9-14/h3-4,7-9,13,17H,5-6,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50464406 (CHEMBL4280601) Show SMILES COc1ccc2ccc3CCC(CNS(C)(=O)=O)c3c2c1 Show InChI InChI=1S/C16H19NO3S/c1-20-14-8-7-11-3-4-12-5-6-13(10-17-21(2,18)19)16(12)15(11)9-14/h3-4,7-9,13,17H,5-6,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	580	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 [3H]-mesulergine from human 5-HT2C receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting 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