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SMILES: CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=KDLXYIKRRNIZGK-ATAZIPLOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285454   
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)		BDBM50285454
PNG
(CHEMBL294392 | [(1S,2R)-1-Benzyl-3-((S)-2-tert-but...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H48N4O6S3/c1-22(2)30-29(12-16-47(30,42)43)44-33(41)35-26(17-23-9-7-6-8-10-23)28(39)21-38-14-13-37(20-27(38)31(40)36-34(3,4)5)19-25-18-24-11-15-45-32(24)46-25/h6-11,15,18,22,26-30,39H,12-14,16-17,19-21H2,1-5H3,(H,35,41)(H,36,40)/t26-,27-,28+,29+,30+/m0/s1
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PC cid
PC sid
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Similars
Article
n/an/a 0.110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 Protease

Bioorg Med Chem Lett 5: 185-190 (1995)


Article DOI: 10.1016/0960-894X(95)00005-E
BindingDB Entry DOI: 10.7270/Q2JS9QCJ
More data for this
Ligand-Target Pair