BDBM50544081 CHEMBL4645139

SMILES: COc1cc2CCN(CC=C)CC(c2cc1O)c1c(Cl)cccc1Cl

InChI Key: InChIKey=NVFYXNDKOPANPI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50544081   

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(1B) dopamine receptor (Homo sapiens (Human))	BDBM50544081 (CHEMBL4645139) Show SMILES COc1cc2CCN(CC=C)CC(c2cc1O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C20H21Cl2NO2/c1-3-8-23-9-7-13-10-19(25-2)18(24)11-14(13)15(12-23)20-16(21)5-4-6-17(20)22/h3-6,10-11,15,24H,1,7-9,12H2,2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	479	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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50544081 (CHEMBL4645139) Show SMILES COc1cc2CCN(CC=C)CC(c2cc1O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C20H21Cl2NO2/c1-3-8-23-9-7-13-10-19(25-2)18(24)11-14(13)15(12-23)20-16(21)5-4-6-17(20)22/h3-6,10-11,15,24H,1,7-9,12H2,2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.04E+3	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50544081 (CHEMBL4645139) Show SMILES COc1cc2CCN(CC=C)CC(c2cc1O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C20H21Cl2NO2/c1-3-8-23-9-7-13-10-19(25-2)18(24)11-14(13)15(12-23)20-16(21)5-4-6-17(20)22/h3-6,10-11,15,24H,1,7-9,12H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.51E+3	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]N-methylspiperone from dopamine D2 receptor (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair