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BDBM50483483 CHEMBL1682244::KNI-10842

SMILES: [H][C@@]1(N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC)[C@@H](C)CC)C(C)(C)C)C(=O)NCC(C)(C)C

InChI Key: InChIKey=NDFWOCCDNUOQEZ-YPUBVPDKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50483483   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protease


(Human T-cell leukemia virus type I)
BDBM50483483
PNG
(CHEMBL1682244 | KNI-10842)
Show SMILES [H][C@@]1(N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC)[C@@H](C)CC)C(C)(C)C)C(=O)NCC(C)(C)C |r|
Show InChI InChI=1S/C37H61N5O6S/c1-12-17-26(43)40-27(23(3)13-2)31(45)41-29(36(7,8)9)32(46)39-25(20-24-18-15-14-16-19-24)28(44)34(48)42-22-49-37(10,11)30(42)33(47)38-21-35(4,5)6/h14-16,18-19,23,25,27-30,44H,12-13,17,20-22H2,1-11H3,(H,38,47)(H,39,46)(H,40,43)(H,41,45)/t23-,25-,27-,28-,29+,30+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HTLV-1 protease L40I mutant by fluorimetric assay


Bioorg Med Chem Lett 21: 1832-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.048
BindingDB Entry DOI: 10.7270/Q2JD50N4
More data for this
Ligand-Target Pair