BDBM50130422 1-Ethyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-urea::CHEMBL102292

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

InChI Key: InChIKey=KDSSRYODOUSZPU-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 = 50130422   

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))	BDBM50130422 (1-Ethyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[...) Show SMILES CCNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H23N5O/c1-3-17-16(22)20-14-5-4-13-15(19-14)12(10-18-13)11-6-8-21(2)9-7-11/h4-5,10-11,18H,3,6-9H2,1-2H3,(H2,17,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50130422 (1-Ethyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[...) Show SMILES CCNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C16H23N5O/c1-3-17-16(22)20-14-5-4-13-15(19-14)12(10-18-13)11-6-8-21(2)9-7-11/h4-5,10-11,18H,3,6-9H2,1-2H3,(H2,17,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	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 of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1D recepto...				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