Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 434.4 BDBM42436Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM42436 (2,5-dimethyl-4-(1-piperidinyl)-N-[2-(trifluorometh...) Show SMILES Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F3N4OS/c1-12-16-18(28-10-6-3-7-11-28)25-13(2)26-20(16)30-17(12)19(29)27-15-9-5-4-8-14(15)21(22,23)24/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V1235Z
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM42436 (2,5-dimethyl-4-(1-piperidinyl)-N-[2-(trifluorometh...) Show SMILES Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H21F3N4OS/c1-12-16-18(28-10-6-3-7-11-28)25-13(2)26-20(16)30-17(12)19(29)27-15-9-5-4-8-14(15)21(22,23)24/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2ZS2TWK
					More data for this Ligand-Target Pair