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SMILES: [I-].Cn1c(COP(=O)(NCCC[N+](C)(C)C)N(CCCl)CCCl)cnc1[N+]([O-])=O

InChI Key: InChIKey=UDNCTJQFVAKQRM-UHFFFAOYSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50469191   
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
Aggrecan core protein


(Bos taurus)		BDBM50469191
PNG
(CHEMBL4277694)
Show SMILES [I-].Cn1c(COP(=O)(NCCC[N+](C)(C)C)N(CCCl)CCCl)cnc1[N+]([O-])=O
Show InChI InChI=1S/C15H30Cl2N6O4P.HI/c1-20-14(12-18-15(20)22(24)25)13-27-28(26,21(9-6-16)10-7-17)19-8-5-11-23(2,3)4;/h12H,5-11,13H2,1-4H3,(H,19,26);1H/q+1;/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.29E+6n/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Binding affinity to bovine articular cartilage aggrecan by SPR analysis

Eur J Med Chem 158: 51-67 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.060
BindingDB Entry DOI: 10.7270/Q24170S5
More data for this
Ligand-Target Pair