BDBM50544072 CHEMBL4642805

SMILES: COc1cc2CCNCC(c3ccccc3)c2cc1O

InChI Key: InChIKey=KJTCMLYTSGLTBF-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 = 50544072   

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))	BDBM50544072 (CHEMBL4642805) Show SMILES COc1cc2CCNCC(c3ccccc3)c2cc1O Show InChI InChI=1S/C17H19NO2/c1-20-17-9-13-7-8-18-11-15(14(13)10-16(17)19)12-5-3-2-4-6-12/h2-6,9-10,15,18-19H,7-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	126	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))	BDBM50544072 (CHEMBL4642805) Show SMILES COc1cc2CCNCC(c3ccccc3)c2cc1O Show InChI InChI=1S/C17H19NO2/c1-20-17-9-13-7-8-18-11-15(14(13)10-16(17)19)12-5-3-2-4-6-12/h2-6,9-10,15,18-19H,7-8,11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	310	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