BindingDB logo
myBDB logout

BDBM50427446 CHEMBL477507

SMILES: OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O

InChI Key: InChIKey=XIBHHWBJHOTHGZ-RPDRRWSUSA-N

Data: 2 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 2 hits for monomerid = 50427446   
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
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427446
PNG
(CHEMBL477507)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4+,6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.61E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427446
PNG
(CHEMBL477507)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4+,6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+6n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair