BDBM50340336 CHEMBL1760953::N-(2-(3-((4-(4-fluorobenzoyl)piperidin-1-yl)methyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide

SMILES: COc1ccc2c(CN3CCC(CC3)C(=O)c3ccc(F)cc3)cn(CCNC(C)=O)c2n1

InChI Key: InChIKey=PLSDMMCMCKLASA-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50340336   

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))	BDBM50340336 (CHEMBL1760953 | N-(2-(3-((4-(4-fluorobenzoyl)piper...) Show SMILES COc1ccc2c(CN3CCC(CC3)C(=O)c3ccc(F)cc3)cn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C25H29FN4O3/c1-17(31)27-11-14-30-16-20(22-7-8-23(33-2)28-25(22)30)15-29-12-9-19(10-13-29)24(32)18-3-5-21(26)6-4-18/h3-8,16,19H,9-15H2,1-2H3,(H,27,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.44E+3	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))	BDBM50340336 (CHEMBL1760953 | N-(2-(3-((4-(4-fluorobenzoyl)piper...) Show SMILES COc1ccc2c(CN3CCC(CC3)C(=O)c3ccc(F)cc3)cn(CCNC(C)=O)c2n1 Show InChI InChI=1S/C25H29FN4O3/c1-17(31)27-11-14-30-16-20(22-7-8-23(33-2)28-25(22)30)15-29-12-9-19(10-13-29)24(32)18-3-5-21(26)6-4-18/h3-8,16,19H,9-15H2,1-2H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.49E+3	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