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BDBM50215416 (2R,3S,4S,5R)-2-((bis(cyclohexylmethyl)amino)methyl)-5-(((2S,3S,4S,5R)-5-((bis(cyclohexylmethyl)amino)methyl)-3,4-dihydroxy-tetrahydrofuran-2-yloxy)methyl)-tetrahydrofuran-3,4-diol::CHEMBL268773

SMILES: O[C@H]1[C@H](O)[C@@H](CN(CC2CCCCC2)CC2CCCCC2)O[C@@H]1CO[C@H]1O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=IDHXQPROXVNPSN-JYQREJNHSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50215416   
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
Arabinosyltransferase A


(Mycobacterium tuberculosis)
BDBM50215416
PNG
((2R,3S,4S,5R)-2-((bis(cyclohexylmethyl)amino)methy...)
Show SMILES O[C@H]1[C@H](O)[C@@H](CN(CC2CCCCC2)CC2CCCCC2)O[C@@H]1CO[C@H]1O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C39H70N2O7/c42-35-32(25-40(21-28-13-5-1-6-14-28)22-29-15-7-2-8-16-29)47-34(37(35)44)27-46-39-38(45)36(43)33(48-39)26-41(23-30-17-9-3-10-18-30)24-31-19-11-4-12-20-31/h28-39,42-45H,1-27H2/t32-,33-,34-,35-,36-,37-,38+,39+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+6n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis arabinosyl transferase assessed as [14C]arabinofuranose incorporation


Bioorg Med Chem Lett 17: 4527-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.099
BindingDB Entry DOI: 10.7270/Q26T0MBP
More data for this
Ligand-Target Pair