BDBM50273943 (Ammoniotris{methylene-1H-1,2,3-triazole-4,1-diylmethylene-4,1-phenylenecarbonylimino[({4-[(diphenylacetyl)amino]-5-[(4-hydroxybenzyl)amino]-5-oxopentyl}amino)methylylidene]})triammonium tetrakis(trifluoroacetate)::CHEMBL526676

SMILES: [NH3+]C(NC(=O)c1ccc(Cn2cc(C[NH+](Cc3cn(Cc4ccc(cc4)C(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)Cc3cn(Cc4ccc(cc4)C(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)nn2)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1

InChI Key: InChIKey=MXCXMFIXAODFEM-PUNGFFNKSA-R

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 = 50273943   

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))	BDBM50273943 ((Ammoniotris{methylene-1H-1,2,3-triazole-4,1-diylm...) Show SMILES [NH3+]C(NC(=O)c1ccc(Cn2cc(C[NH+](Cc3cn(Cc4ccc(cc4)C(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)Cc3cn(Cc4ccc(cc4)C(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)nn2)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:31.32,119.131,81.87| Show InChI InChI=1S/C114H117N25O12/c115-112(118-61-19-34-97(106(146)121-64-76-43-55-94(140)56-44-76)124-109(149)100(82-22-7-1-8-23-82)83-24-9-2-10-25-83)127-103(143)88-49-37-79(38-50-88)67-137-73-91(130-133-137)70-136(71-92-74-138(134-131-92)68-80-39-51-89(52-40-80)104(144)128-113(116)119-62-20-35-98(107(147)122-65-77-45-57-95(141)58-46-77)125-110(150)101(84-26-11-3-12-27-84)85-28-13-4-14-29-85)72-93-75-139(135-132-93)69-81-41-53-90(54-42-81)105(145)129-114(117)120-63-21-36-99(108(148)123-66-78-47-59-96(142)60-48-78)126-111(151)102(86-30-15-5-16-31-86)87-32-17-6-18-33-87/h1-18,22-33,37-60,73-75,97-102,140-142H,19-21,34-36,61-72H2,(H,121,146)(H,122,147)(H,123,148)(H,124,149)(H,125,150)(H,126,151)(H3,115,118,127,143)(H3,116,119,128,144)(H3,117,120,129,145)/p+4/t97-,98-,99-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+4	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 NG-([2,3-3H]propionyl)-BIBP-3226 from NPY Y1 receptor in human SK-N-MC cells				Bioorg Med Chem 16: 9858-66 (2008) Article DOI: 10.1016/j.bmc.2008.09.033 BindingDB Entry DOI: 10.7270/Q2KW5FWS
					More data for this Ligand-Target Pair