BDBM50017436 3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-5-one; dihydrochloride::CHEMBL3216189::CHEMBL542539

SMILES: Cl.Cl.O=C1C2C3CC(C=C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1

InChI Key: InChIKey=OVMZVMWUKYJJBZ-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 = 50017436   

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))	BDBM50017436 (3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES Cl.Cl.O=C1C2C3CC(C=C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6| Show InChI InChI=1S/C20H27N5O3S/c26-19-17-15-4-5-16(14-15)18(17)29(27,28)25(19)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3-7,15-18H,1-2,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	434	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]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 245 to 736				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50017436 (3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES Cl.Cl.O=C1C2C3CC(C=C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6| Show InChI InChI=1S/C20H27N5O3S/c26-19-17-15-4-5-16(14-15)18(17)29(27,28)25(19)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3-7,15-18H,1-2,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+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