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SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(Cc1ccccc1)C(=O)O[C@H]1CCOC1)CC1CCCC1

InChI Key: InChIKey=NYPSSXBUFAYFML-AHWVRZQESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073358   
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)		BDBM50073358
PNG
(Benzyl-{(S)-3-[cyclopentylmethyl-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(Cc1ccccc1)C(=O)O[C@H]1CCOC1)CC1CCCC1
Show InChI InChI=1S/C28H38N2O7S/c1-35-25-11-13-27(14-12-25)38(33,34)30(18-23-9-5-6-10-23)20-24(31)19-29(17-22-7-3-2-4-8-22)28(32)37-26-15-16-36-21-26/h2-4,7-8,11-14,23-24,26,31H,5-6,9-10,15-21H2,1H3/t24-,26-/m0/s1
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PC cid
PC sid
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Similars
PubMed
 600n/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