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SMILES: CCC(=O)c1cnc(s1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1

InChI Key: InChIKey=NGMCNEDPAAWIHS-CUYJMHBOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50403346   
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)		BDBM50403346
PNG
(CHEMBL81775)
Show SMILES CCC(=O)c1cnc(s1)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C29H36N2O4S/c1-5-24(32)26-19-30-27(36-26)22(16-20-12-8-6-9-13-20)18-25(33)23(17-21-14-10-7-11-15-21)31-28(34)35-29(2,3)4/h6-15,19,22-23,25,33H,5,16-18H2,1-4H3,(H,31,34)/t22-,23+,25+/m1/s1
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PC cid
PC sid
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Similars
Article
 3.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease

Bioorg Med Chem Lett 4: 2441-2446 (1994)


Article DOI: 10.1016/S0960-894X(01)80406-6
BindingDB Entry DOI: 10.7270/Q2X63P48
More data for this
Ligand-Target Pair