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BDBM50325603 CHEMBL1223990::N-((R)-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-9-imino-3,11,21-trioxo-13,16,19-trioxa-2,8,10,22-tetraazatetracosan-24-yl)-3a1,5-dihydropyrene-1-carboxamide

SMILES: NC(NC(=O)COCCOCCOCC(=O)NCCNC(=O)C1=C2C=Cc3cccc4CC=C(C=C1)C2c34)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1

InChI Key: InChIKey=ZKKGAINHUFUGTL-OWTXRIFASA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50325603   
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))		BDBM50325603
PNG
(CHEMBL1223990 | N-((R)-4-(2,2-diphenylacetamido)-1...)
Show SMILES NC(NC(=O)COCCOCCOCC(=O)NCCNC(=O)C1=C2C=Cc3cccc4CC=C(C=C1)C2c34)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:38.42,c:22,24,34,t:32|
Show InChI InChI=1S/C54H59N7O9/c55-54(58-26-8-15-45(52(66)59-33-36-16-22-42(62)23-17-36)60-53(67)49(37-9-3-1-4-10-37)38-11-5-2-6-12-38)61-47(64)35-70-32-30-68-29-31-69-34-46(63)56-27-28-57-51(65)44-25-21-41-19-18-39-13-7-14-40-20-24-43(44)50(41)48(39)40/h1-7,9-14,16-17,19-25,45,49-50,62H,8,15,18,26-35H2,(H,56,63)(H,57,65)(H,59,66)(H,60,67)(H3,55,58,61,64)/t45-,50?/m1/s1
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 59n/an/an/an/an/an/an/an/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