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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HLA class II histocompatibility antigen DRB1-1' and Ligand = 'BDBM50289283'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50289283
PNG
(Acetic acid 4-((R)-2-{(S)-1-[(S)-1-((S)-1-carbamoy...)
Show SMILES CCOC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C28H43N5O8/c1-8-40-28(39)32-22(14-19-9-11-20(12-10-19)41-18(7)34)26(37)33-23(16(4)5)27(38)30-17(6)25(36)31-21(24(29)35)13-15(2)3/h9-12,15-17,21-23H,8,13-14H2,1-7H3,(H2,29,35)(H,30,38)(H,31,36)(H,32,39)(H,33,37)/t17-,21-,22+,23-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...


Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
More data for this
Ligand-Target Pair