BDBM50217163 CHEMBL52987

SMILES: COc1ccc(\C=C\C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1

InChI Key: InChIKey=YTBUMNNIZGPKLZ-IZZDOVSWSA-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 = 50217163   

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))	BDBM50217163 (CHEMBL52987) Show SMILES COc1ccc(\C=C\C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1 Show InChI InChI=1S/C24H27F3N2O5S/c1-33-21-8-4-18(5-9-21)6-11-23(30)28-13-2-3-14-29-15-12-19-7-10-22(16-20(19)17-29)34-35(31,32)24(25,26)27/h4-11,16H,2-3,12-15,17H2,1H3,(H,28,30)/b11-6+	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))	BDBM50217163 (CHEMBL52987) Show SMILES COc1ccc(\C=C\C(=O)NCCCCN2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)cc1 Show InChI InChI=1S/C24H27F3N2O5S/c1-33-21-8-4-18(5-9-21)6-11-23(30)28-13-2-3-14-29-15-12-19-7-10-22(16-20(19)17-29)34-35(31,32)24(25,26)27/h4-11,16H,2-3,12-15,17H2,1H3,(H,28,30)/b11-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	316	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