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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 = 'BDBM50371712'   
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 ...)		BDBM50371712
PNG
(CHEMBL256022 | KNI-10600)
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)NCC(C)(C)C)C(C)(C)C)c1ccccc1 |w:30.32|
Show InChI InChI=1S/C37H53N5O6S/c1-23(43)39-27(25-18-14-11-15-19-25)31(45)41-29(36(5,6)7)32(46)40-26(20-24-16-12-10-13-17-24)28(44)34(48)42-22-49-37(8,9)30(42)33(47)38-21-35(2,3)4/h10-19,26-30,44H,20-22H2,1-9H3,(H,38,47)(H,39,43)(H,40,46)(H,41,45)/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 113n/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