null

SMILES: COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1

InChI Key: InChIKey=VCDNWRSJAGNZRQ-ZHACJKMWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50471112   

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 1A/1B (Homo sapiens (Human))	BDBM50471112 (CHEMBL61991) Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H18N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin				J Med Chem 40: 1990-2002 (1997) Article DOI: 10.1021/jm960651z BindingDB Entry DOI: 10.7270/Q2HD7ZCK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471112 (CHEMBL61991) Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H18N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand				J Med Chem 40: 1990-2002 (1997) Article DOI: 10.1021/jm960651z BindingDB Entry DOI: 10.7270/Q2HD7ZCK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471112 (CHEMBL61991) Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H18N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin as gamma-S (10e-4 M)				J Med Chem 40: 1990-2002 (1997) Article DOI: 10.1021/jm960651z BindingDB Entry DOI: 10.7270/Q2HD7ZCK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50471112 (CHEMBL61991) Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H18N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)/b11-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand				J Med Chem 40: 1990-2002 (1997) Article DOI: 10.1021/jm960651z BindingDB Entry DOI: 10.7270/Q2HD7ZCK
					More data for this Ligand-Target Pair