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SMILES: C[C@@H]1[C@H]([C@@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=WYBXHGHEBRRYPS-JSGVGOOMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50064203   
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)		BDBM50064203
PNG
(1N-benzyl-2N-[1-benzyl-4-(2-benzylcarbamoyl-3-meth...)
Show SMILES C[C@@H]1[C@H]([C@@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)NCc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H50N4O6/c1-27-35(41(51)45-25-31-19-11-5-12-20-31)37(27)43(53)47-33(23-29-15-7-3-8-16-29)39(49)40(50)34(24-30-17-9-4-10-18-30)48-44(54)38-28(2)36(38)42(52)46-26-32-21-13-6-14-22-32/h3-22,27-28,33-40,49-50H,23-26H2,1-2H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t27-,28-,33+,34+,35-,36-,37-,38-,39-,40-/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.470n/an/an/an/an/an/an/an/a



Frederick Biomedical Supercomputing Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against wild-type HIV-1 protease

J Med Chem 41: 1581-97 (1998)


Article DOI: 10.1021/jm980033d
BindingDB Entry DOI: 10.7270/Q27S7MWG
More data for this
Ligand-Target Pair