BDBM50007179 4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzamide::CHEMBL27254

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1

InChI Key: InChIKey=PZTFOAIQGVVNAX-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50007179   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50007179 (4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1 Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe-Universität Curated by ChEMBL					Assay Description Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells				J Med Chem 46: 3883-99 (2003) Article DOI: 10.1021/jm030836n BindingDB Entry DOI: 10.7270/Q23F4P18
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007179 (4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1 Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...				J Med Chem 34: 2633-8 (1991) BindingDB Entry DOI: 10.7270/Q2833R0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50007179 (4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1 Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement				J Med Chem 39: 126-34 (1996) Article DOI: 10.1021/jm950410b BindingDB Entry DOI: 10.7270/Q2VX0K7V
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50007179 (4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1 Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards alpha-1 adrenergic receptor of rat frontal cortex using [3H]- WB- 4101 as a radioligand				J Med Chem 34: 2633-8 (1991) BindingDB Entry DOI: 10.7270/Q2833R0C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50007179 (4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1 Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe-Universität Curated by ChEMBL					Assay Description Binding affinity for human dopamine receptor D2 by displacing [125I]-iodosulpiride expressed in CHO cells				J Med Chem 46: 3883-99 (2003) Article DOI: 10.1021/jm030836n BindingDB Entry DOI: 10.7270/Q23F4P18
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50007179 (4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1 Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe-Universität Curated by ChEMBL					Assay Description Effective concentration of the compound for Dopamine receptor D3 was determined				J Med Chem 46: 3883-99 (2003) Article DOI: 10.1021/jm030836n BindingDB Entry DOI: 10.7270/Q23F4P18
					More data for this Ligand-Target Pair