BindingDB logo
myBDB logout

null

SMILES: Nc1ncnc2n(nc(Sc3ccc4OCCc4c3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1

InChI Key: InChIKey=MJXWQXHSOUXCNS-IACUBPJLSA-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 = 476131   
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))		BDBM476131
PNG
(US10865208, Compound I-186 | {(2R,3S,5R)-5-[4-amin...)
Show SMILES Nc1ncnc2n(nc(Sc3ccc4OCCc4c3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 |r|
Show InChI InChI=1S/C18H20N6O6S2/c19-16-15-17(22-8-21-16)24(14-6-11(25)13(30-14)7-29-32(20,26)27)23-18(15)31-10-1-2-12-9(5-10)3-4-28-12/h1-2,5,8,11,13-14,25H,3-4,6-7H2,(H2,19,21,22)(H2,20,26,27)/t11-,13+,14+/m0/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)

More data for this
Ligand-Target Pair