BDBM50544082 CHEMBL4649012

SMILES: COc1cc2CCN(CC=C)CC(c3ccccc3Br)c2cc1O

InChI Key: InChIKey=CDMIXJWMVYRCRT-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 = 50544082   

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(1A) dopamine receptor (Homo sapiens (Human))	BDBM50544082 (CHEMBL4649012) Show SMILES COc1cc2CCN(CC=C)CC(c3ccccc3Br)c2cc1O Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-14-11-20(24-2)19(23)12-16(14)17(13-22)15-6-4-5-7-18(15)21/h3-7,11-12,17,23H,1,8-10,13H2,2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50544082 (CHEMBL4649012) Show SMILES COc1cc2CCN(CC=C)CC(c3ccccc3Br)c2cc1O Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-14-11-20(24-2)19(23)12-16(14)17(13-22)15-6-4-5-7-18(15)21/h3-7,11-12,17,23H,1,8-10,13H2,2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D5 receptor (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair