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SMILES: O[C@H]1[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N2[C@@H]3CC[C@]2(C[C@H]3OCc2ccccc2)[C@H]1O

InChI Key: InChIKey=GXHKBYHBPCOSML-KAHMAFICSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073327   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50073327
PNG
((1S,2R,3S,4R,8R,9R)-4-Benzyl-9-benzyloxy-2,3-dihyd...)
Show SMILES O[C@H]1[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N2[C@@H]3CC[C@]2(C[C@H]3OCc2ccccc2)[C@H]1O
Show InChI InChI=1S/C32H34N4O4/c37-29-27(16-21-7-3-1-4-8-21)35(19-23-11-12-25-24(15-23)18-33-34-25)31(39)36-26-13-14-32(36,30(29)38)17-28(26)40-20-22-9-5-2-6-10-22/h1-12,15,18,26-30,37-38H,13-14,16-17,19-20H2,(H,33,34)/t26-,27-,28-,29+,30+,32+/m1/s1
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PubMed
 9n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of HIV-1 protease by assaying the cleavage of a fluorescent peptide using HPLC

Bioorg Med Chem Lett 8: 3615-20 (1999)


BindingDB Entry DOI: 10.7270/Q2VX0FP1
More data for this
Ligand-Target Pair