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

InChI Key: InChIKey=RNJPRISSQBFKLF-VWLOTQADSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073336   
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)		BDBM50073336
PNG
(CHEMBL121376 | N-Cyclopentylmethyl-N-[(S)-2-hydrox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)NC(C)C)CC1CCCC1
Show InChI InChI=1S/C28H41N3O5S/c1-22(2)29-28(33)30(18-17-23-9-5-4-6-10-23)20-25(32)21-31(19-24-11-7-8-12-24)37(34,35)27-15-13-26(36-3)14-16-27/h4-6,9-10,13-16,22,24-25,32H,7-8,11-12,17-21H2,1-3H3,(H,29,33)/t25-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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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