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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 = 'BDBM50371718'   
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 ...)		BDBM50371718
PNG
(CHEMBL271878 | KNI-10220)
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)c1ccccc1)C(C)(C)C)C(=O)N[C@@H](CCSC)C(N)=O
Show InChI InChI=1S/C43H63N7O8S2/c1-10-25(2)31(37(54)46-29(36(44)53)21-22-59-9)48-40(57)35-43(7,8)60-24-50(35)41(58)33(52)30(23-27-17-13-11-14-18-27)47-39(56)34(42(4,5)6)49-38(55)32(45-26(3)51)28-19-15-12-16-20-28/h11-20,25,29-35,52H,10,21-24H2,1-9H3,(H2,44,53)(H,45,51)(H,46,54)(H,47,56)(H,48,57)(H,49,55)/t25-,29-,30-,31-,32-,33-,34+,35-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 101n/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