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BDBM50467901 CHEMBL4283127

SMILES: [H][C@]1(O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](OC[C@H]3O[C@H](NC(=O)C[C@H](N)C(O)=O)[C@@H](O)[C@@H](O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=MYRBFIFEGZQBBO-KJLPRKOMSA-N

Data: 2 IC50

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 = 50467901   
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
CD209 antigen


(Homo sapiens (Human))
BDBM50467901
PNG
(CHEMBL4283127)
Show SMILES [H][C@]1(O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](OC[C@H]3O[C@H](NC(=O)C[C@H](N)C(O)=O)[C@@H](O)[C@@H](O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C58H98N2O48/c59-11(50(90)91)1-21(68)60-49-41(88)43(103-57-48(37(84)28(75)17(7-66)100-57)108-58-47(36(83)27(74)18(8-67)101-58)107-54-40(87)33(80)24(71)14(4-63)97-54)29(76)19(94-49)9-92-51-42(89)44(104-56-46(35(82)26(73)16(6-65)99-56)106-53-39(86)32(79)23(70)13(3-62)96-53)30(77)20(102-51)10-93-55-45(34(81)25(72)15(5-64)98-55)105-52-38(85)31(78)22(69)12(2-61)95-52/h11-20,22-49,51-58,61-67,69-89H,1-10,59H2,(H,60,68)(H,90,91)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-,52+,53+,54+,55-,56+,57+,58+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of binding of trimannoside containing horseradish peroxidase to DC-SIGN carbohydrate binding domain (unknown origin) expressed in Escheric...


Bioorg Med Chem 26: 5368-5377 (2018)


Article DOI: 10.1016/j.bmc.2018.08.036
BindingDB Entry DOI: 10.7270/Q26D5WQP
More data for this
Ligand-Target Pair
CD209 antigen


(Homo sapiens (Human))
BDBM50467901
PNG
(CHEMBL4283127)
Show SMILES [H][C@]1(O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](OC[C@H]3O[C@H](NC(=O)C[C@H](N)C(O)=O)[C@@H](O)[C@@H](O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C58H98N2O48/c59-11(50(90)91)1-21(68)60-49-41(88)43(103-57-48(37(84)28(75)17(7-66)100-57)108-58-47(36(83)27(74)18(8-67)101-58)107-54-40(87)33(80)24(71)14(4-63)97-54)29(76)19(94-49)9-92-51-42(89)44(104-56-46(35(82)26(73)16(6-65)99-56)106-53-39(86)32(79)23(70)13(3-62)96-53)30(77)20(102-51)10-93-55-45(34(81)25(72)15(5-64)98-55)105-52-38(85)31(78)22(69)12(2-61)95-52/h11-20,22-49,51-58,61-67,69-89H,1-10,59H2,(H,60,68)(H,90,91)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-,52+,53+,54+,55-,56+,57+,58+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of binding of trimannoside containing horseradish peroxidase to DC-SIGN extracellular domain (unknown origin) expressed in Escherichia col...


Bioorg Med Chem 26: 5368-5377 (2018)


Article DOI: 10.1016/j.bmc.2018.08.036
BindingDB Entry DOI: 10.7270/Q26D5WQP
More data for this
Ligand-Target Pair