BDBM50217156 CHEMBL52466

SMILES: Oc1ccc2cc(\C=C\C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc2n1

InChI Key: InChIKey=SJAPPPAALBAIBC-RUDMXATFSA-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 = 50217156   

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))	BDBM50217156 (CHEMBL52466) Show SMILES Oc1ccc2cc(\C=C\C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc2n1 Show InChI InChI=1S/C26H26F3N3O5S/c27-26(28,29)38(35,36)37-22-7-5-19-11-14-32(17-21(19)16-22)13-2-1-12-30-24(33)9-4-18-3-8-23-20(15-18)6-10-25(34)31-23/h3-10,15-16H,1-2,11-14,17H2,(H,30,33)(H,31,34)/b9-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	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))	BDBM50217156 (CHEMBL52466) Show SMILES Oc1ccc2cc(\C=C\C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc2n1 Show InChI InChI=1S/C26H26F3N3O5S/c27-26(28,29)38(35,36)37-22-7-5-19-11-14-32(17-21(19)16-22)13-2-1-12-30-24(33)9-4-18-3-8-23-20(15-18)6-10-25(34)31-23/h3-10,15-16H,1-2,11-14,17H2,(H,30,33)(H,31,34)/b9-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	158	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