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BDBM50009326 CHEMBL76484::{1-[1-(2,3-Dihydroxy-1-isobutyl-4-isopropyl-9-methylamino-5-oxo-nonylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES: CNCCCCC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=DOGHEWNEANTARQ-ZJFWYQNLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50009326   
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)
BDBM50009326
PNG
(CHEMBL76484 | {1-[1-(2,3-Dihydroxy-1-isobutyl-4-is...)
Show SMILES CNCCCCC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H60N6O7/c1-23(2)18-27(32(45)33(46)31(24(3)4)30(44)16-12-13-17-38-8)41-35(48)29(20-26-21-39-22-40-26)42-34(47)28(19-25-14-10-9-11-15-25)43-36(49)50-37(5,6)7/h9-11,14-15,21-24,27-29,31-33,38,45-46H,12-13,16-20H2,1-8H3,(H,39,40)(H,41,48)(H,42,47)(H,43,49)/t27-,28+,29-,31-,32+,33+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
360n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease


J Med Chem 34: 2344-56 (1991)


Article DOI: 10.1021/jm00112a005
BindingDB Entry DOI: 10.7270/Q20P10ND
More data for this
Ligand-Target Pair