BDBM50319673 1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl)urea::CHEMBL1083787

SMILES: Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1

InChI Key: InChIKey=LMGUUVWYFJIKCD-UHFFFAOYSA-N

Data: 2 KI  5 IC50  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 9 hits for monomerid = 50319673   

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
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Binding affinity to 5HT4 receptor				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Agonist activity at rat rat alpha7 nAChR expressed in rat GH4C1 cells by whole cell patch-clamp electrophysiology				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha2A receptor				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in CHO cells				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha2B receptor				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair