BDBM50273946 ((14Z,20R)-15-Ammonio-1-({(4R)-4-[(diphenylacetyl)-amino]-5-[(4-hydroxybenzyl)amino]-5-oxopentyl}amino)-20-{[(4-hydroxybenzyl)amino]carbonyl}-3,13,22-trioxo-23,23-diphenyl-5,8,11-trioxa-2,14,16,21-tetraazatricos-14-en-1-ylidene)ammonium bis(trifluoroacetate)::CHEMBL450031

SMILES: [NH3+]C(NC(=O)COCCOCCOCC(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1

InChI Key: InChIKey=DXQDZZQGPLHDFU-YWSWRHJRSA-P

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 = 50273946   

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))	BDBM50273946 (((14Z,20R)-15-Ammonio-1-({(4R)-4-[(diphenylacetyl)...) Show SMILES [NH3+]C(NC(=O)COCCOCCOCC(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:51.54,19.19| Show InChI InChI=1S/C62H72N10O11/c63-61(65-33-13-23-51(57(77)67-39-43-25-29-49(73)30-26-43)69-59(79)55(45-15-5-1-6-16-45)46-17-7-2-8-18-46)71-53(75)41-82-37-35-81-36-38-83-42-54(76)72-62(64)66-34-14-24-52(58(78)68-40-44-27-31-50(74)32-28-44)70-60(80)56(47-19-9-3-10-20-47)48-21-11-4-12-22-48/h1-12,15-22,25-32,51-52,55-56,73-74H,13-14,23-24,33-42H2,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H3,63,65,71,75)(H3,64,66,72,76)/p+2/t51-,52-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	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