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SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Nc1ccccc1)CC1CCCC1

InChI Key: InChIKey=UFPNFCNRHKGOLY-NDEPHWFRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073343   
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)		BDBM50073343
PNG
(CHEMBL120052 | N-Cyclopentylmethyl-N-[(S)-2-hydrox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Nc1ccccc1)CC1CCCC1
Show InChI InChI=1S/C31H39N3O5S/c1-39-29-16-18-30(19-17-29)40(37,38)34(22-26-12-8-9-13-26)24-28(35)23-33(21-20-25-10-4-2-5-11-25)31(36)32-27-14-6-3-7-15-27/h2-7,10-11,14-19,26,28,35H,8-9,12-13,20-24H2,1H3,(H,32,36)/t28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>2.00E+4n/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