BDBM50017443 3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-butyl}-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-5-one; dihydrochloride::CHEMBL3215971::CHEMBL553756

SMILES: Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CC(C=C4)C3S2(=O)=O)CC1

InChI Key: InChIKey=FFDLQGOMELVLNH-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 = 50017443   

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))	BDBM50017443 (3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CC(C=C4)C3S2(=O)=O)CC1 |c:26| Show InChI InChI=1S/C23H28F3N3O3S/c24-23(25,26)18-4-3-5-19(15-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-6-7-17(14-16)21(20)33(29,31)32/h3-7,15-17,20-21H,1-2,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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 12 to 17.				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))	BDBM50017443 (3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CC(C=C4)C3S2(=O)=O)CC1 |c:26| Show InChI InChI=1S/C23H28F3N3O3S/c24-23(25,26)18-4-3-5-19(15-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-6-7-17(14-16)21(20)33(29,31)32/h3-7,15-17,20-21H,1-2,8-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	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