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SMILES: NC(=N)NCCCCCCCCN(CCCCCCCCNC(=N)NCC1CC1)C(=O)N(CCCCCCCCNC(N)=N)CCCCCCCCNC(=N)NCC1CC1

InChI Key: InChIKey=VMIMWAHXYZOQRS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50503397   
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
Albumin


(Homo sapiens (Human))		BDBM50503397
PNG
(CHEMBL4438023)
Show SMILES NC(=N)NCCCCCCCCN(CCCCCCCCNC(=N)NCC1CC1)C(=O)N(CCCCCCCCNC(N)=N)CCCCCCCCNC(=N)NCC1CC1
Show InChI InChI=1S/C45H92N14O/c46-41(47)52-29-17-9-1-5-13-21-33-58(35-23-15-7-3-11-19-31-54-43(50)56-37-39-25-26-39)45(60)59(34-22-14-6-2-10-18-30-53-42(48)49)36-24-16-8-4-12-20-32-55-44(51)57-38-40-27-28-40/h39-40H,1-38H2,(H4,46,47,52)(H4,48,49,53)(H3,50,54,56)(H3,51,55,57)
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Article
PubMed
n/an/an/a 2.33E+4n/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin assessed as dissociation constant after 30 mins by fluorescence-based assay

J Med Chem 61: 9162-9176 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00619
BindingDB Entry DOI: 10.7270/Q2SJ1PWK
More data for this
Ligand-Target Pair