BDBM50217175 CHEMBL53351

SMILES: CN(C)c1ccc(\C=C\C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1

InChI Key: InChIKey=GJWDRNPPBDVMAH-KPKJPENVSA-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 = 50217175   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50217175 (CHEMBL53351) Show SMILES CN(C)c1ccc(\C=C\C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1 Show InChI InChI=1S/C25H30F3N3O4S/c1-30(2)22-9-5-19(6-10-22)7-12-24(32)29-14-3-4-15-31-16-13-20-8-11-23(17-21(20)18-31)35-36(33,34)25(26,27)28/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,29,32)/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells				Bioorg Med Chem Lett 9: 179-84 (1999) BindingDB Entry DOI: 10.7270/Q2057J4D
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50217175 (CHEMBL53351) Show SMILES CN(C)c1ccc(\C=C\C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1 Show InChI InChI=1S/C25H30F3N3O4S/c1-30(2)22-9-5-19(6-10-22)7-12-24(32)29-14-3-4-15-31-16-13-20-8-11-23(17-21(20)18-31)35-36(33,34)25(26,27)28/h5-12,17H,3-4,13-16,18H2,1-2H3,(H,29,32)/b12-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells				Bioorg Med Chem Lett 9: 179-84 (1999) BindingDB Entry DOI: 10.7270/Q2057J4D
					More data for this Ligand-Target Pair