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SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OCc1ccncc1)CC1CCCC1

InChI Key: InChIKey=RRAUHAGIBVIQQP-NDEPHWFRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073351   
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)		BDBM50073351
PNG
(CHEMBL333037 | {(S)-3-[Cyclopentylmethyl-(4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OCc1ccncc1)CC1CCCC1
Show InChI InChI=1S/C31H39N3O6S/c1-39-29-11-13-30(14-12-29)41(37,38)34(21-26-9-5-6-10-26)23-28(35)22-33(20-17-25-7-3-2-4-8-25)31(36)40-24-27-15-18-32-19-16-27/h2-4,7-8,11-16,18-19,26,28,35H,5-6,9-10,17,20-24H2,1H3/t28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 200n/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