BDBM50220541 CHEMBL392158::Fallypride::N-(((S)-1-allylpyrrolidin-2-yl)methyl)-5-(3-fluoropropyl)-2,3-dimethoxybenzamide

SMILES: COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC

InChI Key: InChIKey=OABRYNHZQBZDMG-INIZCTEOSA-N

Data: 5 KI  1 IC50

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 6 hits for monomerid = 50220541   

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 (Homo sapiens (Human))	BDBM50220541 (CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...) Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50220541 (CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...) Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells				Bioorg Med Chem 15: 6819-29 (2007) Article DOI: 10.1016/j.bmc.2007.07.017 BindingDB Entry DOI: 10.7270/Q20G3JVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50220541 (CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...) Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells				Bioorg Med Chem 15: 6819-29 (2007) Article DOI: 10.1016/j.bmc.2007.07.017 BindingDB Entry DOI: 10.7270/Q20G3JVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50220541 (CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...) Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells				Bioorg Med Chem 15: 6819-29 (2007) Article DOI: 10.1016/j.bmc.2007.07.017 BindingDB Entry DOI: 10.7270/Q20G3JVD
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Sus scrofa)	BDBM50220541 (CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...) Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23990 from dopamine D1 receptor in pig stratial membrane				Bioorg Med Chem 15: 6819-29 (2007) Article DOI: 10.1016/j.bmc.2007.07.017 BindingDB Entry DOI: 10.7270/Q20G3JVD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50220541 (CHEMBL392158 | Fallypride | N-(((S)-1-allylpyrroli...) Show SMILES COc1cc(CCCF)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC |r| Show InChI InChI=1S/C20H29FN2O3/c1-4-10-23-11-6-8-16(23)14-22-20(24)17-12-15(7-5-9-21)13-18(25-2)19(17)26-3/h4,12-13,16H,1,5-11,14H2,2-3H3,(H,22,24)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor (unknown origin)				Bioorg Med Chem Lett 18: 4467-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.065 BindingDB Entry DOI: 10.7270/Q25T3K86
					More data for this Ligand-Target Pair