BDBM50130471 1-Methyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-urea::CHEMBL323264

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

InChI Key: InChIKey=OPIDMBKDLIZFRZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50130471   

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))	BDBM50130471 (1-Methyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo...) Show SMILES CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C15H21N5O/c1-16-15(21)19-13-4-3-12-14(18-13)11(9-17-12)10-5-7-20(2)8-6-10/h3-4,9-10,17H,5-8H2,1-2H3,(H2,16,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	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))	BDBM50130471 (1-Methyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo...) Show SMILES CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C15H21N5O/c1-16-15(21)19-13-4-3-12-14(18-13)11(9-17-12)10-5-7-20(2)8-6-10/h3-4,9-10,17H,5-8H2,1-2H3,(H2,16,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.5	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
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50130471 (1-Methyl-3-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo...) Show SMILES CNC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 Show InChI InChI=1S/C15H21N5O/c1-16-15(21)19-13-4-3-12-14(18-13)11(9-17-12)10-5-7-20(2)8-6-10/h3-4,9-10,17H,5-8H2,1-2H3,(H2,16,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	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 1B 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