Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 351.4 BDBM42449

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 1 (Homo sapiens (Human))	BDBM42449 (3-fluoranyl-N-[2-[(3,6,7-trimethylquinolin-2-yl)am...) Show SMILES Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C Show InChI InChI=1S/C21H22FN3O/c1-13-9-17-10-15(3)20(25-19(17)11-14(13)2)23-7-8-24-21(26)16-5-4-6-18(22)12-16/h4-6,9-12H,7-8H2,1-3H3,(H,23,25)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.39E+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
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM42449 (3-fluoranyl-N-[2-[(3,6,7-trimethylquinolin-2-yl)am...) Show SMILES Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C Show InChI InChI=1S/C21H22FN3O/c1-13-9-17-10-15(3)20(25-19(17)11-14(13)2)23-7-8-24-21(26)16-5-4-6-18(22)12-16/h4-6,9-12H,7-8H2,1-3H3,(H,23,25)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.44E+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