BDBM50340328 CHEMBL1760955::N-(2-(6-methoxy-3-(2,2,2-trifluoroacetyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide

SMILES: COc1ccc2c(cn(CCNC(C)=O)c2n1)C(=O)C(F)(F)F

InChI Key: InChIKey=JDACSMSKZRUGMB-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 = 50340328   

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))	BDBM50340328 (CHEMBL1760955 | N-(2-(6-methoxy-3-(2,2,2-trifluoro...) Show SMILES COc1ccc2c(cn(CCNC(C)=O)c2n1)C(=O)C(F)(F)F Show InChI InChI=1S/C14H14F3N3O3/c1-8(21)18-5-6-20-7-10(12(22)14(15,16)17)9-3-4-11(23-2)19-13(9)20/h3-4,7H,5-6H2,1-2H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 21: 2316-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50340328 (CHEMBL1760955 | N-(2-(6-methoxy-3-(2,2,2-trifluoro...) Show SMILES COc1ccc2c(cn(CCNC(C)=O)c2n1)C(=O)C(F)(F)F Show InChI InChI=1S/C14H14F3N3O3/c1-8(21)18-5-6-20-7-10(12(22)14(15,16)17)9-3-4-11(23-2)19-13(9)20/h3-4,7H,5-6H2,1-2H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 21: 2316-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50340328 (CHEMBL1760955 | N-(2-(6-methoxy-3-(2,2,2-trifluoro...) Show SMILES COc1ccc2c(cn(CCNC(C)=O)c2n1)C(=O)C(F)(F)F Show InChI InChI=1S/C14H14F3N3O3/c1-8(21)18-5-6-20-7-10(12(22)14(15,16)17)9-3-4-11(23-2)19-13(9)20/h3-4,7H,5-6H2,1-2H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Bioorg Med Chem Lett 21: 2316-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50340328 (CHEMBL1760955 | N-(2-(6-methoxy-3-(2,2,2-trifluoro...) Show SMILES COc1ccc2c(cn(CCNC(C)=O)c2n1)C(=O)C(F)(F)F Show InChI InChI=1S/C14H14F3N3O3/c1-8(21)18-5-6-20-7-10(12(22)14(15,16)17)9-3-4-11(23-2)19-13(9)20/h3-4,7H,5-6H2,1-2H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay				Bioorg Med Chem Lett 21: 2316-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.097 BindingDB Entry DOI: 10.7270/Q27H1JWM
					More data for this Ligand-Target Pair