Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 492.0 BDBM50090274

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

Found 4 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))	BDBM50090274 (2-[2-(4-Chloro-phenyl)-2-phenyl-acetylamino]-5-gua...) Show SMILES NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H30ClN5O2/c28-22-15-13-21(14-16-22)24(20-10-5-2-6-11-20)26(35)33-23(12-7-17-31-27(29)30)25(34)32-18-19-8-3-1-4-9-19/h1-6,8-11,13-16,23-24H,7,12,17-18H2,(H,32,34)(H,33,35)(H4,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description NPY Y1-antagonistic activity in HEL cells by measuring the inhibition of porcine NPY (10 nM) stimulated increase in the intracellular [Ca2+] concentr...				Bioorg Med Chem Lett 10: 1597-600 (2000) BindingDB Entry DOI: 10.7270/Q2HD7TWN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50090274 (2-[2-(4-Chloro-phenyl)-2-phenyl-acetylamino]-5-gua...) Show SMILES NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H30ClN5O2/c28-22-15-13-21(14-16-22)24(20-10-5-2-6-11-20)26(35)33-23(12-7-17-31-27(29)30)25(34)32-18-19-8-3-1-4-9-19/h1-6,8-11,13-16,23-24H,7,12,17-18H2,(H,32,34)(H,33,35)(H4,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description NPY Y1-antagonistic activity in HEL cells by measuring the inhibition of porcine NPY (10 nM) stimulated increase in the intracellular [Ca2+] concentr...				Bioorg Med Chem Lett 10: 1597-600 (2000) BindingDB Entry DOI: 10.7270/Q2HD7TWN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50090274 (2-[2-(4-Chloro-phenyl)-2-phenyl-acetylamino]-5-gua...) Show SMILES NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H30ClN5O2/c28-22-15-13-21(14-16-22)24(20-10-5-2-6-11-20)26(35)33-23(12-7-17-31-27(29)30)25(34)32-18-19-8-3-1-4-9-19/h1-6,8-11,13-16,23-24H,7,12,17-18H2,(H,32,34)(H,33,35)(H4,29,30,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-propionyl-NPY (1 nM) to Neuropeptide Y receptor type 5 in HEC-1-B cells				Bioorg Med Chem Lett 10: 1597-600 (2000) BindingDB Entry DOI: 10.7270/Q2HD7TWN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50090274 (2-[2-(4-Chloro-phenyl)-2-phenyl-acetylamino]-5-gua...) Show SMILES NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H30ClN5O2/c28-22-15-13-21(14-16-22)24(20-10-5-2-6-11-20)26(35)33-23(12-7-17-31-27(29)30)25(34)32-18-19-8-3-1-4-9-19/h1-6,8-11,13-16,23-24H,7,12,17-18H2,(H,32,34)(H,33,35)(H4,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-propionyl-NPY (1 nM) to Neuropeptide Y receptor type 2 in SMS-KAN cell membranes				Bioorg Med Chem Lett 10: 1597-600 (2000) BindingDB Entry DOI: 10.7270/Q2HD7TWN
					More data for this Ligand-Target Pair