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BDBM50037123 CHEMBL108226::{(1S,2S,4R)-1-Benzyl-4-[5-(2,2-dimethyl-but-3-enoyl)-1H-imidazol-2-yl]-2-hydroxy-5-phenyl-pentyl}-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc([nH]1)C(=O)C(C)(C)C=C

InChI Key: InChIKey=ZTJFGNIMOPUQFL-OBDYRVMHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037123   
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)
BDBM50037123
PNG
(CHEMBL108226 | {(1S,2S,4R)-1-Benzyl-4-[5-(2,2-dime...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc([nH]1)C(=O)C(C)(C)C=C
Show InChI InChI=1S/C32H41N3O4/c1-7-32(5,6)28(37)26-21-33-29(34-26)24(18-22-14-10-8-11-15-22)20-27(36)25(19-23-16-12-9-13-17-23)35-30(38)39-31(2,3)4/h7-17,21,24-25,27,36H,1,18-20H2,2-6H3,(H,33,34)(H,35,38)/t24-,25+,27+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
270n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition constant against recombinant HIV-1 protease


J Med Chem 37: 3100-7 (1994)


Article DOI: 10.1021/jm00045a015
BindingDB Entry DOI: 10.7270/Q2T72GG9
More data for this
Ligand-Target Pair