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BDBM50068925 (S)-N*1*-[(1S,2R)-1-Benzyl-3-(2-tert-butylcarbamoyl-phenoxy)-2-hydroxy-propyl]-2-[(cinnoline-4-carbonyl)-amino]-succinamide::CHEMBL174480

SMILES: CC(C)(C)NC(=O)c1ccccc1OC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnnc2ccccc12

InChI Key: InChIKey=MQDFPPQSDUGQOU-KCHLEUMXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50068925   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50068925
PNG
((S)-N*1*-[(1S,2R)-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)c1cnnc2ccccc12
Show InChI InChI=1S/C34H38N6O6/c1-34(2,3)39-32(44)23-14-8-10-16-29(23)46-20-28(41)26(17-21-11-5-4-6-12-21)37-33(45)27(18-30(35)42)38-31(43)24-19-36-40-25-15-9-7-13-22(24)25/h4-16,19,26-28,41H,17-18,20H2,1-3H3,(H2,35,42)(H,37,45)(H,38,43)(H,39,44)/t26-,27-,28-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/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)


Article DOI: 10.1016/s0960-894x(98)00144-9
BindingDB Entry DOI: 10.7270/Q2765DG0
More data for this
Ligand-Target Pair