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SMILES: CC1(C)[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(=O)NCc2ccccc2)C1(C)C)C(=O)NCc1ccccc1

InChI Key: InChIKey=XTSOTYHBCMFVQM-WIGWXFGNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50064199   
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)		BDBM50064199
PNG
(1N-benzyl-2N-[1-benzyl-4-(3-benzylcarbamoyl-2,2-di...)
Show SMILES CC1(C)[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(=O)NCc2ccccc2)C1(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C46H54N4O6/c1-45(2)35(41(53)47-27-31-21-13-7-14-22-31)37(45)43(55)49-33(25-29-17-9-5-10-18-29)39(51)40(52)34(26-30-19-11-6-12-20-30)50-44(56)38-36(46(38,3)4)42(54)48-28-32-23-15-8-16-24-32/h5-24,33-40,51-52H,25-28H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t33-,34-,35+,36+,37+,38+,39+,40+/m0/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.310n/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