BDBM50020123 4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione;C4H4O4::CHEMBL28352

SMILES: O=C1C2C3CC(C=C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1

InChI Key: InChIKey=JVHAASOSSONHOU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50020123   

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 (Rattus norvegicus (rat))	BDBM50020123 (4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-az...) Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6| Show InChI InChI=1S/C21H27N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3-7,15-18H,1-2,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020123 (4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-az...) Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6| Show InChI InChI=1S/C21H27N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3-7,15-18H,1-2,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	248	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue				J Med Chem 31: 1382-92 (1988) BindingDB Entry DOI: 10.7270/Q2PC32Z4
					More data for this Ligand-Target Pair