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BDBM883 L-685,434 deriv. 31::N-(2(R)-Hydroxy-1(S)-indanyl)-5(S)-[(tert-butyloxycarbonyl)amino]-4(S)-hydroxy-6-[4-[2-(4-morpholinyl)ethoxy]phenyl]-2-(R)-[[4-[2-(4-morphholinyl)ethoxy]phenyl]methyl]hexanamide::tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-{4-[2-(morpholin-4-yl)ethoxy]phenyl}-5-({4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)pentan-2-yl]carbamate

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=WGHYNTCTLVBFHI-HATTVXFNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 883   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM883
PNG
(L-685,434 deriv. 31 | N-(2(R)-Hydroxy-1(S)-indanyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C45H62N4O9/c1-45(2,3)58-44(53)46-39(29-33-10-14-37(15-11-33)57-27-21-49-18-24-55-25-19-49)40(50)31-35(43(52)47-42-38-7-5-4-6-34(38)30-41(42)51)28-32-8-12-36(13-9-32)56-26-20-48-16-22-54-23-17-48/h4-15,35,39-42,50-51H,16-31H2,1-3H3,(H,46,53)(H,47,52)/t35-,39+,40+,41-,42+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/a5.530



Merck Research Laboratories



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 35: 1685-701 (1992)


Article DOI: 10.1021/jm00088a003
BindingDB Entry DOI: 10.7270/Q2JH3JCF
More data for this
Ligand-Target Pair