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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 = 'BDBM50371721'   
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 ...)		BDBM50371721
PNG
(CHEMBL403770 | KNI-10197)
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(=O)N[C@@H](CCSC)C(N)=O)c1ccccc1
Show InChI InChI=1S/C43H63N7O8S2/c1-9-25(3)32(45-27(5)51)39(55)48-33(26(4)10-2)38(54)47-31(23-28-17-13-11-14-18-28)35(52)42(58)50-24-60-43(6,7)36(50)41(57)49-34(29-19-15-12-16-20-29)40(56)46-30(37(44)53)21-22-59-8/h11-20,25-26,30-36,52H,9-10,21-24H2,1-8H3,(H2,44,53)(H,45,51)(H,46,56)(H,47,54)(H,48,55)(H,49,57)/t25-,26-,30-,31-,32-,33-,34-,35-,36-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 123n/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