BDBM50130465 CHEMBL105955::N-[3-(1-Methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-butyramide

SMILES: CCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1

InChI Key: InChIKey=JJDBTUIYFOHXHH-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50130465   

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
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50130465 (CHEMBL105955 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C17H24N4O/c1-3-4-16(22)19-15-6-5-14-17(20-15)13(11-18-14)12-7-9-21(2)10-8-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3,(H,19,20,22)	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1F receptor				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50130465 (CHEMBL105955 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CCCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C17H24N4O/c1-3-4-16(22)19-15-6-5-14-17(20-15)13(11-18-14)12-7-9-21(2)10-8-12/h5-6,11-12,18H,3-4,7-10H2,1-2H3,(H,19,20,22)	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro effective concentration for stimulation of [35S]-GTP-gammaS, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F recep...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair