Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 417.5 BDBM50145236

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

Found 6 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 5 (Rat 6B)	BDBM50145236 (1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-ben...) Show SMILES CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C22H28FN3O2S/c1-2-3-4-20(27)26-10-7-15(8-11-26)14-24-22-25-21-17-13-16(23)5-6-18(17)28-12-9-19(21)29-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against rat neuropeptide Y5 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50145236 (1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-ben...) Show SMILES CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C22H28FN3O2S/c1-2-3-4-20(27)26-10-7-15(8-11-26)14-24-22-25-21-17-13-16(23)5-6-18(17)28-12-9-19(21)29-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against human neuropeptide Y5 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50145236 (1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-ben...) Show SMILES CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C22H28FN3O2S/c1-2-3-4-20(27)26-10-7-15(8-11-26)14-24-22-25-21-17-13-16(23)5-6-18(17)28-12-9-19(21)29-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against human neuropeptide Y5 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50145236 (1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-ben...) Show SMILES CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C22H28FN3O2S/c1-2-3-4-20(27)26-10-7-15(8-11-26)14-24-22-25-21-17-13-16(23)5-6-18(17)28-12-9-19(21)29-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against rat neuropeptide Y2 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50145236 (1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-ben...) Show SMILES CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C22H28FN3O2S/c1-2-3-4-20(27)26-10-7-15(8-11-26)14-24-22-25-21-17-13-16(23)5-6-18(17)28-12-9-19(21)29-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against rat neuropeptide Y1 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50145236 (1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-ben...) Show SMILES CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C22H28FN3O2S/c1-2-3-4-20(27)26-10-7-15(8-11-26)14-24-22-25-21-17-13-16(23)5-6-18(17)28-12-9-19(21)29-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against rat neuropeptide Y4 receptor				Bioorg Med Chem Lett 14: 2451-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.014 BindingDB Entry DOI: 10.7270/Q2WM1CV1
					More data for this Ligand-Target Pair