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SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)NC(C)(C)C)CC1CCCC1

InChI Key: InChIKey=DNYDDVFIPGUVGV-VWLOTQADSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073337   
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)		BDBM50073337
PNG
(CHEMBL122564 | N-[(S)-3-(3-tert-Butyl-1-phenethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)NC(C)(C)C)CC1CCCC1
Show InChI InChI=1S/C29H43N3O5S/c1-29(2,3)30-28(34)31(19-18-23-10-6-5-7-11-23)21-25(33)22-32(20-24-12-8-9-13-24)38(35,36)27-16-14-26(37-4)15-17-27/h5-7,10-11,14-17,24-25,33H,8-9,12-13,18-22H2,1-4H3,(H,30,34)/t25-/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 2.10E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound against HIV-1 protease was determined

Bioorg Med Chem Lett 8: 3631-6 (1999)


BindingDB Entry DOI: 10.7270/Q2MC8Z5V
More data for this
Ligand-Target Pair