Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 373.4 BDBM50145239

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

Found 5 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 (Homo sapiens (Human))	BDBM50145239 (1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...) Show SMILES CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C20H24FN3OS/c1-13(25)24-9-7-14(8-10-24)12-22-20-23-19-17-11-16(21)6-5-15(17)3-2-4-18(19)26-20/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	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))	BDBM50145239 (1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...) Show SMILES CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C20H24FN3OS/c1-13(25)24-9-7-14(8-10-24)12-22-20-23-19-17-11-16(21)6-5-15(17)3-2-4-18(19)26-20/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	254	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 measured as Ca+ response				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))	BDBM50145239 (1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...) Show SMILES CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C20H24FN3OS/c1-13(25)24-9-7-14(8-10-24)12-22-20-23-19-17-11-16(21)6-5-15(17)3-2-4-18(19)26-20/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,22,23)	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 2 (Homo sapiens (Human))	BDBM50145239 (1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...) Show SMILES CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C20H24FN3OS/c1-13(25)24-9-7-14(8-10-24)12-22-20-23-19-17-11-16(21)6-5-15(17)3-2-4-18(19)26-20/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,22,23)	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 4 (Homo sapiens (Human))	BDBM50145239 (1-{4-[(9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[...) Show SMILES CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 Show InChI InChI=1S/C20H24FN3OS/c1-13(25)24-9-7-14(8-10-24)12-22-20-23-19-17-11-16(21)6-5-15(17)3-2-4-18(19)26-20/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,22,23)	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