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SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)NC1CCc2ccccc12)CC1CCCC1

InChI Key: InChIKey=AFIFJGGSLNWYAE-WXTKOERCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073345   
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)		BDBM50073345
PNG
(CHEMBL332806 | N-Cyclopentylmethyl-N-[(S)-2-hydrox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)NC1CCc2ccccc12)CC1CCCC1
Show InChI InChI=1S/C34H43N3O5S/c1-42-30-16-18-31(19-17-30)43(40,41)37(23-27-11-5-6-12-27)25-29(38)24-36(22-21-26-9-3-2-4-10-26)34(39)35-33-20-15-28-13-7-8-14-32(28)33/h2-4,7-10,13-14,16-19,27,29,33,38H,5-6,11-12,15,20-25H2,1H3,(H,35,39)/t29-,33?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+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