BDBM39858 MLS000070519::N-(2,5-Dimethoxy-phenyl)-3-(3-methyl-piperidin-1-yl)-propionamide::N-(2,5-dimethoxyphenyl)-3-(3-methyl-1-piperidinyl)propanamide;hydrochloride::N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride::N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidino)propionamide;hydrochloride::SMR000011889::cid_2900388

SMILES: COc1ccc(OC)c(NC(=O)CCN2CCCC(C)C2)c1

InChI Key: InChIKey=YVHQGBQMZABFIK-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 39858   

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
Integrin alpha-4 (Homo sapiens (Human))	BDBM39858 (MLS000070519 | N-(2,5-Dimethoxy-phenyl)-3-(3-methy...) Show SMILES COc1ccc(OC)c(NC(=O)CCN2CCCC(C)C2)c1 Show InChI InChI=1S/C17H26N2O3/c1-13-5-4-9-19(12-13)10-8-17(20)18-15-11-14(21-2)6-7-16(15)22-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H130FK
					More data for this Ligand-Target Pair
tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide (Homo sapiens (Human))	BDBM39858 (MLS000070519 | N-(2,5-Dimethoxy-phenyl)-3-(3-methy...) Show SMILES COc1ccc(OC)c(NC(=O)CCN2CCCC(C)C2)c1 Show InChI InChI=1S/C17H26N2O3/c1-13-5-4-9-19(12-13)10-8-17(20)18-15-11-14(21-2)6-7-16(15)22-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 pr...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2V986FT
					More data for this Ligand-Target Pair