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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 = 'BDBM50371706'   
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 ...)		BDBM50371706
PNG
(CHEMBL404702)
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)NCc1ccccc1C)C(C)(C)C)c1ccccc1 |w:30.32|
Show InChI InChI=1S/C40H51N5O6S/c1-25-16-14-15-21-29(25)23-41-37(50)34-40(6,7)52-24-45(34)38(51)32(47)30(22-27-17-10-8-11-18-27)43-36(49)33(39(3,4)5)44-35(48)31(42-26(2)46)28-19-12-9-13-20-28/h8-21,30-34,47H,22-24H2,1-7H3,(H,41,50)(H,42,46)(H,43,49)(H,44,48)/t30-,31-,32-,33+,34?/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 103n/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