BDBM50230955 CHEMBL4102177

SMILES: COc1ccc2cccc(CCNC(C)=O)c2n1

InChI Key: InChIKey=JOEAUASPZYBRHH-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 = 50230955   

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))	BDBM50230955 (CHEMBL4102177) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2n1 Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-9-8-12-5-3-4-11-6-7-13(18-2)16-14(11)12/h3-7H,8-9H2,1-2H3,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50230955 (CHEMBL4102177) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2n1 Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-9-8-12-5-3-4-11-6-7-13(18-2)16-14(11)12/h3-7H,8-9H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50230955 (CHEMBL4102177) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2n1 Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-9-8-12-5-3-4-11-6-7-13(18-2)16-14(11)12/h3-7H,8-9H2,1-2H3,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				Eur J Med Chem 127: 621-631 (2017) BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50230955 (CHEMBL4102177) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2n1 Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-9-8-12-5-3-4-11-6-7-13(18-2)16-14(11)12/h3-7H,8-9H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				Eur J Med Chem 127: 621-631 (2017) BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair