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SMILES: CC(C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1nc2ccccc2[nH]1)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1

InChI Key: InChIKey=OLYMUQHFEGOZRL-MGVKUUOKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282087   
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)		BDBM50282087
PNG
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1nc2ccccc2[nH]1)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C47H56N8O5/c1-29(2)42(46(59)48-27-40-50-36-19-11-12-20-37(36)51-40)54-44(57)33(23-31-15-7-5-8-16-31)25-35(56)26-34(24-32-17-9-6-10-18-32)45(58)55-43(30(3)4)47(60)49-28-41-52-38-21-13-14-22-39(38)53-41/h5-22,29-30,33-35,42-43,56H,23-28H2,1-4H3,(H,48,59)(H,49,60)(H,50,51)(H,52,53)(H,54,57)(H,55,58)/t33-,34-,42+,43+/m1/s1
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PC cid
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Similars
Article
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease

Bioorg Med Chem Lett 3: 1589-1594 (1993)


Article DOI: 10.1016/S0960-894X(00)80023-2
BindingDB Entry DOI: 10.7270/Q24X57QC
More data for this
Ligand-Target Pair