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BDBM50326703 (5S,8S,11S,14S,17S,20S,23S,26S,29S)-5-acetamido-1-(2-carboxy-4-(dimethylamino)phenyl)-8-(3-guanidinopropyl)-11-(hydroxymethyl)-17,20,23,26,31-pentamethyl-14-(2-(methylthio)ethyl)-2,6,9,12,15,18,21,24,27-nonaoxo-3,7,10,13,16,19,22,25,28-nonaazadotriacontane-29-carboxylic acid::CHEMBL1253327

SMILES: [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1-[#6](-[#8])=O)-[#7](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O

InChI Key: InChIKey=CFIQOGTVKHTRJT-YJQLAELQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326703   
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))
BDBM50326703
PNG
((5S,8S,11S,14S,17S,20S,23S,26S,29S)-5-acetamido-1-...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1-[#6](-[#8])=O)-[#7](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C48H78N14O15S/c1-23(2)18-34(47(76)77)60-41(69)27(6)55-39(67)25(4)53-38(66)24(3)54-40(68)26(5)56-42(70)33(15-17-78-10)59-45(73)36(22-63)61-43(71)32(12-11-16-51-48(49)50)58-44(72)35(57-28(7)64)21-52-37(65)19-29-13-14-30(62(8)9)20-31(29)46(74)75/h13-14,20,23-27,32-36,63H,11-12,15-19,21-22H2,1-10H3,(H,52,65)(H,53,66)(H,54,68)(H,55,67)(H,56,70)(H,57,64)(H,58,72)(H,59,73)(H,60,69)(H,61,71)(H,74,75)(H,76,77)(H4,49,50,51)/t24-,25-,26-,27-,32-,33-,34-,35-,36-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/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 at acidic pH by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
More data for this
Ligand-Target Pair