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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pro polyprotein' and Ligand = 'BDBM50371713'   
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
Gag-Pro polyprotein


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)		BDBM50371713
PNG
(CHEMBL271454 | KNI-10592)
Show SMILES CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)C1C(=O)NCC1CC1)C(C)(C)C)c1ccccc1 |w:30.32|
Show InChI InChI=1S/C36H49N5O6S/c1-22(42)38-27(25-15-11-8-12-16-25)31(44)40-29(35(2,3)4)32(45)39-26(19-23-13-9-7-10-14-23)28(43)34(47)41-21-48-36(5,6)30(41)33(46)37-20-24-17-18-24/h7-16,24,26-30,43H,17-21H2,1-6H3,(H,37,46)(H,38,42)(H,39,45)(H,40,44)/t26-,27-,28-,29+,30?/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 146n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS

Bioorg Med Chem Lett 18: 366-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.066
BindingDB Entry DOI: 10.7270/Q2N58N78
More data for this
Ligand-Target Pair