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BDBM50286712 2,3-Dihydro-1H-indole-4-carboxylic acid [(1R,2R)-3-(2-tert-butylcarbamoyl-phenyl)-2-hydroxy-1-(naphthalen-2-ylsulfanylmethyl)-propyl]-amide::CHEMBL349662

SMILES: CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2NCCc12

InChI Key: InChIKey=NCGHQSXCSIIIPL-IOWSJCHKSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50286712   
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)
BDBM50286712
PNG
(2,3-Dihydro-1H-indole-4-carboxylic acid [(1R,2R)-3...)
Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2NCCc12
Show InChI InChI=1S/C34H37N3O3S/c1-34(2,3)37-33(40)26-12-7-6-11-24(26)20-31(38)30(21-41-25-16-15-22-9-4-5-10-23(22)19-25)36-32(39)28-13-8-14-29-27(28)17-18-35-29/h4-16,19,30-31,35,38H,17-18,20-21H2,1-3H3,(H,36,39)(H,37,40)/t30-,31+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Patents

Article
166n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity HIV-1 protease enzyme


Bioorg Med Chem Lett 5: 727-732 (1995)


Article DOI: 10.1016/0960-894X(95)00103-Z
BindingDB Entry DOI: 10.7270/Q29S1R0T
More data for this
Ligand-Target Pair