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SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Cc1cncc(NS(N)(=O)=O)c1)CC1CCCC1

InChI Key: InChIKey=CYCPKNIMVMVBKH-NDEPHWFRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073352   
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)		BDBM50073352
PNG
(1N-[3-cyclopentylmethyl(4-methoxyphenyl)sulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Cc1cncc(NS(N)(=O)=O)c1)CC1CCCC1
Show InChI InChI=1S/C31H41N5O7S2/c1-43-29-11-13-30(14-12-29)44(39,40)36(21-25-9-5-6-10-25)23-28(37)22-35(16-15-24-7-3-2-4-8-24)31(38)18-26-17-27(20-33-19-26)34-45(32,41)42/h2-4,7-8,11-14,17,19-20,25,28,34,37H,5-6,9-10,15-16,18,21-23H2,1H3,(H2,32,41,42)/t28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
PubMed
 220n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to 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