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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human leukocyte antigen DR beta chain' and Ligand = 'BDBM50289261'   
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
Human leukocyte antigen DR beta chain


(Homo sapiens (Human))
BDBM50289261
PNG
(Acetic acid ((S)-1-{(S)-1-[(S)-1-((S)-1-carbamoyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COC(C)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C27H41N5O7/c1-15(2)12-20(24(28)35)31-25(36)17(5)29-27(38)23(16(3)4)32-26(37)21(13-19-10-8-7-9-11-19)30-22(34)14-39-18(6)33/h7-11,15-17,20-21,23H,12-14H2,1-6H3,(H2,28,35)(H,29,38)(H,30,34)(H,31,36)(H,32,37)/t17-,20-,21-,23-/m0/s1
PDB
MMDB

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PC cid
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UniChem
Article
n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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


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