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BDBM267947 (3aR,5R,6S,7R,7aR)-5- ((cyclopentylamino)methyl)-2- (methylamino)-5,6,7,7a-tetrahydro- 3aH-pyrano[3,2-d]thiazole-6,7-diol::US9718854, 37

SMILES: CNC1=N[C@H]2[C@H](O[C@H](CNC3CCCC3)[C@@H](O)[C@@H]2O)S1

InChI Key: InChIKey=WELRTUZMUOJQLV-LZQZFOIKSA-N

Data: 1 KI

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 = 267947   
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
Dihydrodipicolinate synthase-like, mitochondrial


(Homo sapiens)
BDBM267947
PNG
((3aR,5R,6S,7R,7aR)-5- ((cyclopentylamino)methyl)-2...)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CNC3CCCC3)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C13H23N3O3S/c1-14-13-16-9-11(18)10(17)8(19-12(9)20-13)6-15-7-4-2-3-5-7/h7-12,15,17-18H,2-6H2,1H3,(H,14,16)/t8-,9-,10-,11-,12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.600n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acet...


US Patent US9718854 (2017)

More data for this
Ligand-Target Pair