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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 = 'BDBM50371728'   
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 ...)		BDBM50371728
PNG
(CHEMBL271706 | KNI-10166)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C41H67N7O8S2/c1-11-23(4)30(43-26(7)49)38(54)46-31(24(5)12-2)37(53)45-29(21-27-17-15-14-16-18-27)33(50)40(56)48-22-58-41(8,9)34(48)39(55)47-32(25(6)13-3)36(52)44-28(35(42)51)19-20-57-10/h14-18,23-25,28-34,50H,11-13,19-22H2,1-10H3,(H2,42,51)(H,43,49)(H,44,52)(H,45,53)(H,46,54)(H,47,55)/t23-,24-,25-,28-,29-,30-,31-,32-,33-,34-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 88n/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