BDBM50008786 CHEMBL43506::N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-(2-fluoro-ethyl)-2-hydroxy-5,6-dimethoxy-benzamide

SMILES: CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC

InChI Key: InChIKey=NCDPKFAUDDDXBP-ZDUSSCGKSA-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 = 50008786   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008786 (CHEMBL43506 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC Show InChI InChI=1S/C18H27FN2O4/c1-4-21-9-5-6-13(21)11-20-18(23)15-16(22)12(7-8-19)10-14(24-2)17(15)25-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50008786 (CHEMBL43506 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC Show InChI InChI=1S/C18H27FN2O4/c1-4-21-9-5-6-13(21)11-20-18(23)15-16(22)12(7-8-19)10-14(24-2)17(15)25-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence ...				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50008786 (CHEMBL43506 | N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC Show InChI InChI=1S/C18H27FN2O4/c1-4-21-9-5-6-13(21)11-20-18(23)15-16(22)12(7-8-19)10-14(24-2)17(15)25-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description binding affinity towards alpha-2 adrenergic receptor, using [3H]- atipamezole as radioligand from rat frontal cortex membranes				J Med Chem 34: 1612-24 (1991) BindingDB Entry DOI: 10.7270/Q2GH9GXF
					More data for this Ligand-Target Pair