BDBM50325610 (13R)-13-(4-Hydroxybenzylcarbamoyl)-3,6,15-trioxo-16,16-diphenyl-1-((2R,3R,4S,5R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)-2-oxa-7,9,14-triazahexadecan-8-iminium 2,2,2-trifluoroacetate::CHEMBL1223998

SMILES: NC(NC(=O)CCC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1

InChI Key: InChIKey=UEOCUCBATCYYRO-GJYCSCSHSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50325610   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50325610 ((13R)-13-(4-Hydroxybenzylcarbamoyl)-3,6,15-trioxo-...) Show SMILES NC(NC(=O)CCC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:21.22| Show InChI InChI=1S/C37H45N5O11/c38-37(42-28(44)17-18-29(45)52-21-27-31(46)32(47)33(48)36(51)53-27)39-19-7-12-26(34(49)40-20-22-13-15-25(43)16-14-22)41-35(50)30(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-16,26-27,30-33,36,43,46-48,51H,7,12,17-21H2,(H,40,49)(H,41,50)(H3,38,39,42,44)/t26-,27-,31+,32+,33-,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells				Bioorg Med Chem 18: 6292-304 (2010) Article DOI: 10.1016/j.bmc.2010.07.028 BindingDB Entry DOI: 10.7270/Q2416X87
					More data for this Ligand-Target Pair