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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 = 'BDBM50289269'   
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))
BDBM50289269
PNG
(((S)-1-{(S)-5-Amino-1-[(S)-1-((S)-1-carbamoyl-pent...)
Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(N)=O
Show InChI InChI=1S/C27H44N6O6/c1-4-6-14-20(23(29)34)31-24(35)18(3)30-25(36)21(15-10-11-16-28)32-26(37)22(33-27(38)39-5-2)17-19-12-8-7-9-13-19/h7-9,12-13,18,20-22H,4-6,10-11,14-17,28H2,1-3H3,(H2,29,34)(H,30,36)(H,31,35)(H,32,37)(H,33,38)/t18-,20-,21-,22-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
n/an/a 600n/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
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair