Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50442556'   

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))	BDBM50442556 (CHEMBL2440925) Show SMILES NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:26.26,80.83| Show InChI InChI=1S/C82H112N18O12/c83-45-54-100(55-52-88-71(105)43-41-69(103)86-46-17-1-3-19-48-92-81(111)98-79(84)90-50-21-31-67(75(107)94-57-59-33-37-65(101)38-34-59)96-77(109)73(61-23-9-5-10-24-61)62-25-11-6-12-26-62)56-53-89-72(106)44-42-70(104)87-47-18-2-4-20-49-93-82(112)99-80(85)91-51-22-32-68(76(108)95-58-60-35-39-66(102)40-36-60)97-78(110)74(63-27-13-7-14-28-63)64-29-15-8-16-30-64/h5-16,23-30,33-40,67-68,73-74,101-102H,1-4,17-22,31-32,41-58,83H2,(H,86,103)(H,87,104)(H,88,105)(H,89,106)(H,94,107)(H,95,108)(H,96,109)(H,97,110)(H4,84,90,92,98,111)(H4,85,91,93,99,112)/t67-,68-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-MK114 from human neuropeptide Y receptor type 1 expressed in human SK-N-MC cells				Bioorg Med Chem 21: 6303-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.065 BindingDB Entry DOI: 10.7270/Q2J104MN
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