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SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Cc1cccc(NS(N)(=O)=O)c1C)CC1CCCC1

InChI Key: InChIKey=XPMYJKFSOLGMKH-LJAQVGFWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073361   
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)		BDBM50073361
PNG
(1N-[3-cyclopentylmethyl(4-methoxyphenyl)sulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Cc1cccc(NS(N)(=O)=O)c1C)CC1CCCC1
Show InChI InChI=1S/C33H44N4O7S2/c1-25-28(13-8-14-32(25)35-46(34,42)43)21-33(39)36(20-19-26-9-4-3-5-10-26)23-29(38)24-37(22-27-11-6-7-12-27)45(40,41)31-17-15-30(44-2)16-18-31/h3-5,8-10,13-18,27,29,35,38H,6-7,11-12,19-24H2,1-2H3,(H2,34,42,43)/t29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars
PubMed
 680n/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