new BindingDB logo
myBDB logout

BDBM50326702 (2S,5S,8S,11S,14S,17S,20S,23S)-23-(2-amino-3-(5-(dimethylamino)-1,3-dioxoisoindolin-2-yl)propanamido)-8,14-bis(4-aminobutyl)-11,17-bis(carboxymethyl)-2-(3-guanidinopropyl)-20-((R)-1-hydroxyethyl)-5-(hydroxymethyl)-4,7,10,13,16,19,22-heptaoxo-3,6,9,12,15,18,21-heptaazahexacosane-1,26-dioic acid::CHEMBL1253326

SMILES: [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=ZUZFFRKHESXYBD-JKILKGSJSA-N

Data: 1 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 1 hit for monomerid = 50326702   
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
HLA class II histocompatibility antigen DRB1-1


(Homo sapiens (Human))
BDBM50326702
PNG
((2S,5S,8S,11S,14S,17S,20S,23S)-23-(2-amino-3-(5-(d...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#7]-1-[#6](=O)-c2ccc(cc2-[#6]-1=O)-[#7](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C51H80N16O20/c1-24(69)39(65-43(79)31(14-15-36(70)71)58-40(76)28(54)22-67-48(84)26-13-12-25(66(2)3)19-27(26)49(67)85)47(83)63-34(21-38(74)75)45(81)59-29(9-4-6-16-52)41(77)62-33(20-37(72)73)44(80)60-30(10-5-7-17-53)42(78)64-35(23-68)46(82)61-32(50(86)87)11-8-18-57-51(55)56/h12-13,19,24,28-35,39,68-69H,4-11,14-18,20-23,52-54H2,1-3H3,(H,58,76)(H,59,81)(H,60,80)(H,61,82)(H,62,77)(H,63,83)(H,64,78)(H,65,79)(H,70,71)(H,72,73)(H,74,75)(H,86,87)(H4,55,56,57)/t24-,28+,29+,30+,31+,32+,33+,34+,35+,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair