BDBM50096977 CHEMBL3580909

SMILES: COc1ccc2[nH]cc(CC(=O)NCC=C)c2c1

InChI Key: InChIKey=BRKWQBQNZRMYKO-UHFFFAOYSA-N

Data: 2 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50096977   

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 (Homo sapiens (Human))	BDBM50096977 (CHEMBL3580909) Show SMILES COc1ccc2[nH]cc(CC(=O)NCC=C)c2c1 Show InChI InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins				J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50096977 (CHEMBL3580909) Show SMILES COc1ccc2[nH]cc(CC(=O)NCC=C)c2c1 Show InChI InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins				J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50096977 (CHEMBL3580909) Show SMILES COc1ccc2[nH]cc(CC(=O)NCC=C)c2c1 Show InChI InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Agonist activity at human melatonin receptor-2 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay				J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50096977 (CHEMBL3580909) Show SMILES COc1ccc2[nH]cc(CC(=O)NCC=C)c2c1 Show InChI InChI=1S/C14H16N2O2/c1-3-6-15-14(17)7-10-9-16-13-5-4-11(18-2)8-12(10)13/h3-5,8-9,16H,1,6-7H2,2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	525	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Agonist activity at human melatonin receptor-1 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay				J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG
					More data for this Ligand-Target Pair