BDBM50143658 2-{4-[2-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl]-piperazin-1-yl}-benzonitrile::CHEMBL299022

SMILES: O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N

InChI Key: InChIKey=FIKCUNQQOIUGKX-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50143658   

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
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143658 (2-{4-[2-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C22H28N4O2/c23-17-18-5-1-2-6-19(18)25-12-9-24(10-13-25)11-14-26-20(27)15-22(16-21(26)28)7-3-4-8-22/h1-2,5-6H,3-4,7-16H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to the adrenergic receptor alpha-1D of rat aorta				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50143658 (2-{4-[2-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C22H28N4O2/c23-17-18-5-1-2-6-19(18)25-12-9-24(10-13-25)11-14-26-20(27)15-22(16-21(26)28)7-3-4-8-22/h1-2,5-6H,3-4,7-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli...				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50143658 (2-{4-[2-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C22H28N4O2/c23-17-18-5-1-2-6-19(18)25-12-9-24(10-13-25)11-14-26-20(27)15-22(16-21(26)28)7-3-4-8-22/h1-2,5-6H,3-4,7-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spleen				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50143658 (2-{4-[2-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C22H28N4O2/c23-17-18-5-1-2-6-19(18)25-12-9-24(10-13-25)11-14-26-20(27)15-22(16-21(26)28)7-3-4-8-22/h1-2,5-6H,3-4,7-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to adrenergic alpha1A receptor (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9379-1 BindingDB Entry DOI: 10.7270/Q2NG4THH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50143658 (2-{4-[2-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C22H28N4O2/c23-17-18-5-1-2-6-19(18)25-12-9-24(10-13-25)11-14-26-20(27)15-22(16-21(26)28)7-3-4-8-22/h1-2,5-6H,3-4,7-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to adrenergic alpha1A receptor (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-010-9379-1 BindingDB Entry DOI: 10.7270/Q2NG4THH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50143658 (2-{4-[2-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N Show InChI InChI=1S/C22H28N4O2/c23-17-18-5-1-2-6-19(18)25-12-9-24(10-13-25)11-14-26-20(27)15-22(16-21(26)28)7-3-4-8-22/h1-2,5-6H,3-4,7-16H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recordati s.p.a. Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1A adrenergic receptor through displacement of [3H]-prazosin in epididymal rat vas deferens.				J Med Chem 47: 1900-18 (2004) Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35
					More data for this Ligand-Target Pair