BindingDB logo
myBDB logout

null

SMILES: OC(=O)C(F)(F)F.CCN(CC)c1ccc2cc(\C=C\c3ccc(c[n+]3CCCCCC(=O)NCCNC(=O)\N=C(\N)NCCC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)S([O-])(=O)=O)c(=O)oc2c1

InChI Key: InChIKey=QSVYDVARQGCQHA-JDPCMHCLSA-N

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 = 50500160   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50500160
PNG
(CHEMBL4299524)
Show SMILES OC(=O)C(F)(F)F.CCN(CC)c1ccc2cc(\C=C\c3ccc(c[n+]3CCCCCC(=O)NCCNC(=O)\N=C(\N)NCCC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)S([O-])(=O)=O)c(=O)oc2c1 |r|
Show InChI InChI=1S/C56H65N9O10S.C2HF3O2/c1-3-64(4-2)45-26-23-42-35-43(54(70)75-49(42)36-45)24-25-44-27-30-47(76(72,73)74)38-65(44)34-13-7-12-20-50(67)58-32-33-60-56(71)63-55(57)59-31-14-19-48(52(68)61-37-39-21-28-46(66)29-22-39)62-53(69)51(40-15-8-5-9-16-40)41-17-10-6-11-18-41;3-2(4,5)1(6)7/h5-6,8-11,15-18,21-30,35-36,38,48,51H,3-4,7,12-14,19-20,31-34,37H2,1-2H3,(H8-,57,58,59,60,61,62,63,66,67,68,69,71,72,73,74);(H,6,7)/t48-;/m0./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)

Curated by ChEMBL


Assay Description
Displacement of (R)-Na-Diphenylacetyl-Nomega[2-([2,3-3H]-propionylamino)ethyl]aminocarbonyl (4-hydroxybenzyl)-argininamide from NPY1R in human SK-N-M...

J Med Chem 58: 8834-49 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG
More data for this
Ligand-Target Pair