BDBM80613 1-(2,3,4-Trimethoxy-benzyl)-piperazine::1-(2,3,4-trimethoxybenzyl)piperazine;hydrochloride::1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;hydrochloride::MLS001240268::SMR000674573::TRIMETAZIDINE::cid_9926449

SMILES: COc1ccc(CN2CCNCC2)c(OC)c1OC

InChI Key: InChIKey=UHWVSEOVJBQKBE-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 80613   

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
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM80613 (1-(2,3,4-Trimethoxy-benzyl)-piperazine | 1-(2,3,4-...) Show SMILES COc1ccc(CN2CCNCC2)c(OC)c1OC Show InChI InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.26E+3	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q24F1P6P
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM80613 (1-(2,3,4-Trimethoxy-benzyl)-piperazine | 1-(2,3,4-...) Show SMILES COc1ccc(CN2CCNCC2)c(OC)c1OC Show InChI InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.19E+3	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2862DX0
					More data for this Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human))	BDBM80613 (1-(2,3,4-Trimethoxy-benzyl)-piperazine | 1-(2,3,4-...) Show SMILES COc1ccc(CN2CCNCC2)c(OC)c1OC Show InChI InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V986KM
					More data for this Ligand-Target Pair
Carnitine palmitoyltransferase 1B (Rattus norvegicus)	BDBM80613 (1-(2,3,4-Trimethoxy-benzyl)-piperazine | 1-(2,3,4-...) Show SMILES COc1ccc(CN2CCNCC2)c(OC)c1OC Show InChI InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of CPT1A in rat myocardium				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform (Homo sapiens (Human))	BDBM80613 (1-(2,3,4-Trimethoxy-benzyl)-piperazine | 1-(2,3,4-...) Show SMILES COc1ccc(CN2CCNCC2)c(OC)c1OC Show InChI InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human CPT1B				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
					More data for this Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform (Homo sapiens (Human))	BDBM80613 (1-(2,3,4-Trimethoxy-benzyl)-piperazine | 1-(2,3,4-...) Show SMILES COc1ccc(CN2CCNCC2)c(OC)c1OC Show InChI InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human CPT1A				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
					More data for this Ligand-Target Pair
Carnitine palmitoyltransferase 2 (Homo sapiens (Human))	BDBM80613 (1-(2,3,4-Trimethoxy-benzyl)-piperazine | 1-(2,3,4-...) Show SMILES COc1ccc(CN2CCNCC2)c(OC)c1OC Show InChI InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human CPT2				J Med Chem 54: 3109-52 (2011) Article DOI: 10.1021/jm100809g BindingDB Entry DOI: 10.7270/Q29K4CDQ
					More data for this Ligand-Target Pair