BDBM50220542 CHEMBL241169::N-(((S)-1-allylpyrrolidin-2-yl)methyl)-5-iodo-2,3-dimethoxybenzamide

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

InChI Key: InChIKey=YSQJEBUGELTUQM-ZDUSSCGKSA-N

Data: 4 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 4 hits for monomerid = 50220542   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50220542 (CHEMBL241169 | N-(((S)-1-allylpyrrolidin-2-yl)meth...) Show SMILES COc1cc(I)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC Show InChI InChI=1S/C17H23IN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	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))	BDBM50220542 (CHEMBL241169 | N-(((S)-1-allylpyrrolidin-2-yl)meth...) Show SMILES COc1cc(I)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC Show InChI InChI=1S/C17H23IN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50220542 (CHEMBL241169 | N-(((S)-1-allylpyrrolidin-2-yl)meth...) Show SMILES COc1cc(I)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC Show InChI InChI=1S/C17H23IN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	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
Dopamine D1 receptor (Sus scrofa)	BDBM50220542 (CHEMBL241169 | N-(((S)-1-allylpyrrolidin-2-yl)meth...) Show SMILES COc1cc(I)cc(C(=O)NC[C@@H]2CCCN2CC=C)c1OC Show InChI InChI=1S/C17H23IN2O3/c1-4-7-20-8-5-6-13(20)11-19-17(21)14-9-12(18)10-15(22-2)16(14)23-3/h4,9-10,13H,1,5-8,11H2,2-3H3,(H,19,21)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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