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SMILES: OC(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccncc1)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccncc1

InChI Key: InChIKey=HUBIEGVWOGXGJF-HUQFNPNXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50284031   
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)		BDBM50284031
PNG
((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...)
Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccncc1)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccncc1
Show InChI InChI=1S/C45H54N6O5/c52-37(29-35(27-31-11-3-1-4-12-31)44(55)50-40-17-9-7-15-38(40)48-42(53)33-19-23-46-24-20-33)30-36(28-32-13-5-2-6-14-32)45(56)51-41-18-10-8-16-39(41)49-43(54)34-21-25-47-26-22-34/h1-6,11-14,19-26,35-41,52H,7-10,15-18,27-30H2,(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t35-,36-,38+,39+,40+,41+/m1/s1
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PC cid
PC sid
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Article
n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay)

Bioorg Med Chem Lett 4: 583-588 (1994)


Article DOI: 10.1016/S0960-894X(01)80159-1
BindingDB Entry DOI: 10.7270/Q2Q24061
More data for this
Ligand-Target Pair