BindingDB logo
myBDB logout

null

SMILES: Cn1cc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cn1

InChI Key: InChIKey=LSVPBEMPGSDOFL-AKAIJSEGSA-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 = 476004   
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
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))		BDBM476004
PNG
(US10865208, Compound I-61 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Cn1cc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cn1 |r|
Show InChI InChI=1S/C14H18N8O6S2/c1-21-3-6(2-19-21)29-13-8-11(15)17-5-18-12(8)22(20-13)14-10(24)9(23)7(28-14)4-27-30(16,25)26/h2-3,5,7,9-10,14,23-24H,4H2,1H3,(H2,15,17,18)(H2,16,25,26)/t7-,9-,10-,14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35n/an/an/an/an/an/a



MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...

US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair