BDBM50017439 3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-3lambda*6*-thia-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-en-5-one; dihydrochloride::CHEMBL3215739::CHEMBL537244

SMILES: Cl.Cl.O=C1C2C(C3CCC2C=C3)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1

InChI Key: InChIKey=COQWDTHYTCXEBF-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50017439   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017439 (3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES Cl.Cl.O=C1C2C(C3CCC2C=C3)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:9| Show InChI InChI=1S/C21H29N5O3S/c27-20-18-16-4-6-17(7-5-16)19(18)30(28,29)26(20)11-2-1-10-24-12-14-25(15-13-24)21-22-8-3-9-23-21/h3-4,6,8-9,16-19H,1-2,5,7,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	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 ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair