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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 = 'BDBM50371726'   
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 ...)		BDBM50371726
PNG
(CHEMBL257649 | KNI-10168)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C36H58N6O7S/c1-10-20(4)26(31(37)45)40-34(48)30-36(8,9)50-19-42(30)35(49)29(44)25(18-24-16-14-13-15-17-24)39-32(46)28(22(6)12-3)41-33(47)27(21(5)11-2)38-23(7)43/h13-17,20-22,25-30,44H,10-12,18-19H2,1-9H3,(H2,37,45)(H,38,43)(H,39,46)(H,40,48)(H,41,47)/t20-,21-,22-,25-,26-,27-,28-,29-,30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 249n/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