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SMILES: [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)CC=C)S(=O)(=O)c1ccc(OC)cc1OCCCCC=C

InChI Key: InChIKey=CWMBLJUBLZGJFU-HSMUIPKLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 35989   
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
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A]


(Human immunodeficiency virus type 1)		BDBM35989
PNG
(acyclic compound, 19b)
Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)CC=C)S(=O)(=O)c1ccc(OC)cc1OCCCCC=C |r|
Show InChI InChI=1S/C36H50N2O9S/c1-5-7-8-12-19-44-32-22-28(43-4)16-17-34(32)48(41,42)38(23-26(3)13-6-2)24-31(39)30(21-27-14-10-9-11-15-27)37-36(40)47-33-25-46-35-29(33)18-20-45-35/h5-6,9-11,14-17,22,26,29-31,33,35,39H,1-2,7-8,12-13,18-21,23-25H2,3-4H3,(H,37,40)/t26?,29-,30-,31+,33-,35+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 15n/an/an/a 380n/an/an/an/a



Purdue University



Assay Description
The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...

J Med Chem 52: 7689-705 (2009)


Article DOI: 10.1021/jm900695w
BindingDB Entry DOI: 10.7270/Q2G44NN7
More data for this
Ligand-Target Pair