BDBM50026941 8-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione::CHEMBL57364

SMILES: Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1

InChI Key: InChIKey=ATIJQZLSMDZBIR-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 5 hits for monomerid = 50026941   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50026941 (8-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8...) Show SMILES Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28ClN3O2/c22-17-4-3-5-18(14-17)24-11-8-23(9-12-24)10-13-25-19(26)15-21(16-20(25)27)6-1-2-7-21/h3-5,14H,1-2,6-13,15-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09	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
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50026941 (8-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8...) Show SMILES Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28ClN3O2/c22-17-4-3-5-18(14-17)24-11-8-23(9-12-24)10-13-25-19(26)15-21(16-20(25)27)6-1-2-7-21/h3-5,14H,1-2,6-13,15-16H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02	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
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50026941 (8-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8...) Show SMILES Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28ClN3O2/c22-17-4-3-5-18(14-17)24-11-8-23(9-12-24)10-13-25-19(26)15-21(16-20(25)27)6-1-2-7-21/h3-5,14H,1-2,6-13,15-16H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	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 (Rattus norvegicus (Rat))	BDBM50026941 (8-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8...) Show SMILES Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28ClN3O2/c22-17-4-3-5-18(14-17)24-11-8-23(9-12-24)10-13-25-19(26)15-21(16-20(25)27)6-1-2-7-21/h3-5,14H,1-2,6-13,15-16H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026941 (8-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8...) Show SMILES Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28ClN3O2/c22-17-4-3-5-18(14-17)24-11-8-23(9-12-24)10-13-25-19(26)15-21(16-20(25)27)6-1-2-7-21/h3-5,14H,1-2,6-13,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes				J Med Chem 26: 194-203 (1983) BindingDB Entry DOI: 10.7270/Q2G73GXD
					More data for this Ligand-Target Pair