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SMILES: CC(C)(C)NC(=O)c1ccccc1OC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1

InChI Key: InChIKey=JYRYZPFLADYPRQ-OWHBQTKESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50068929   
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)		BDBM50068929
PNG
((S)-N*1*-[(1S,2S)-1-Benzyl-3-(2-tert-butylcarbamoy...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1OC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C40H40N4O8/c1-40(2,3)44-38(50)28-15-9-10-16-33(28)52-22-32(45)30(19-23-11-5-4-6-12-23)42-39(51)31(21-34(41)46)43-37(49)24-17-18-27-29(20-24)36(48)26-14-8-7-13-25(26)35(27)47/h4-18,20,30-32,45H,19,21-22H2,1-3H3,(H2,41,46)(H,42,51)(H,43,49)(H,44,50)/t30-,31-,32+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 41n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease using scintillation proximity assay (SPA assay)

Bioorg Med Chem Lett 8: 931-4 (1999)


BindingDB Entry DOI: 10.7270/Q2765DG0
More data for this
Ligand-Target Pair