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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 = 'BDBM50289265'   
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))
BDBM50289265
PNG
((S)-2-[(S)-3-Carbamoyl-2-((S)-2-{[(R)-2-ethoxycarb...)
Show SMILES CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C30H45N9O8/c1-5-47-30(46)37-21(13-17-15-35-19-10-7-6-9-18(17)19)27(43)39(4)22(11-8-12-34-29(32)33)26(42)36-20(14-23(31)40)25(41)38-24(16(2)3)28(44)45/h6-7,9-10,15-16,20-22,24,35H,5,8,11-14H2,1-4H3,(H2,31,40)(H,36,42)(H,37,46)(H,38,41)(H,44,45)(H4,32,33,34)/t20-,21+,22-,24-/m0/s1
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PC cid
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Article
n/an/a 31n/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